China ShengDa Pharmaceutical Company

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Profile: China ShengDa Pharmaceutical Company is an ISO 14001:2004 & ISO 9001:2000 certified company. Our product line includes tannic acid, tretinoin, minoxidil, dipyridamole, telicoplanin, and calcipotriol. We also offer hydroxypropyl methylcellulose, macromolecule, polyacrylamide, and hydroxyethylcellulose.

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• PNU 120596 (CAS: 501928-31-1)

• PNU-120596

IUPAC Name: 1-(5-chloro-2,4-dimethoxyphenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea | CAS Registry Number: 501925-31-1
Synonyms: CHEBI:527125, NSC216666, CID311434, NSC 216666, NSC-216666, NCGC00167746-01, 1-(5-Chloro-2,4-dimethoxyphenyl)-3-(5-methylisoxazol-3-yl)urea, Urea, N-(5-chloro-2,4-dimethoxyphenyl)-N'-(5-methyl-3-isoxazolyl)-

Molecular Formula:	C₁₃H₁₄ClN₃O₄	Molecular Weight:	311.720960 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	5

InChIKey: CEIIEALEIHQDBX-UHFFFAOYSA-N

• Ponatinib

IUPAC Name: 3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide | CAS Registry Number: 943319-70-8
Synonyms: PONATINIB, Iclusig, AP-24534, AP24534, AP-24534, Ponatinib, AP24534, AP 24534, UNII-4340891KFS, 3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-(4-((4-methylpiperazin-1-yl)methyl)-3-(trifluoromethyl)phenyl)benzamide, 3-(2-(Imidazo[1,2-b]pyridazin-3-yl)ethynyl)-4-methyl-N-(4-((4-methylpiperazin-1-yl)methyl)-3-(trifluoromethyl)phenyl)benzamide, BENZAMIDE, 3-(2-IMIDAZO[1,2-B]PYRIDAZIN-3-YLETHYNYL)-4-METHYL-N-[4-[(4-METHYL-1-PIPERAZINYL)METHYL]-3-(TRIFLUOROMETHYL)PHENYL]-, 0LI, 3-(Imidazo[1,2-B]pyridazin-3-Ylethynyl)-4-Methyl-N-{4-[(4-Methylpiperazin-1-Yl)methyl]-3-(Trifluoromethyl)phenyl}benzamide, S1490_Selleck, AP24534,Ponatinib, Ponatinib (USAN/INN), Ponatinib [USAN:INN], AP24534 - Ponatinib, Ponatinib (AP24534), SureCN589260, QCR-6

Molecular Formula:	C₂₉H₂₇F₃N₆O	Molecular Weight:	532.559490 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	8

InChIKey: PHXJVRSECIGDHY-UHFFFAOYSA-N

• Pretomanid

IUPAC Name: (6S)-2-nitro-6-[[4-(trifluoromethoxy)phenyl]methoxy]-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine | CAS Registry Number: 187235-37-6
Synonyms: PA-824, PA 824, PA824, CHEBI:478216, AIDS007331, AIDS-007331, CID456199, (S)-6-(4-(trifluoromethoxy)benzyloxy)-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine, (6S)-2-nitro-6-{[4-(trifluoromethoxy)benzyl]oxy}-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine, {4-[((3S)-6-Nitro(2H,3H,4H-imidazolo[2,1-b]1,3-oxazaperhydroin-3-yloxy))methyl]phenoxy}trifluoromethane, 5H-Imidazo(2,1-b)(1,3)oxazine, 6,7-dihydro-2-nitro-6-((4-(trifluoromethoxy)phenyl)methoxy)-, (6S)-

Molecular Formula:	C₁₄H₁₂F₃N₃O₅	Molecular Weight:	359.257390 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	9

InChIKey: ZLHZLMOSPGACSZ-NSHDSACASA-N

• Pristinamycin

Synonyms: Pyostacine, Stapyocine, Streptogramin, Virgimycin, Mikamycin, Stafac, Eskalin V, Eskalin 500, Stafac 500, Lactrol, Livelong, Pyostacin, Stafac 20, VirginiamycinDISCONTINUED

Molecular Formula:	C₇₁H₈₄N₁₀O₁₇	Molecular Weight:	1349.483460 [g/mol]
H-Bond Donor:	6	H-Bond Acceptor:	19

InChIKey: MVTQIFVKRXBCHS-AGQHCAQXSA-N

• Prodigiosin

IUPAC Name: (2Z,5Z)-3-methoxy-2-[(5-methyl-4-pentyl-1H-pyrrol-2-yl)methylidene]-5-pyrrol-2-ylidenepyrrole | CAS Registry Number: 82-89-3
Synonyms: nchem.178-comp1, NSC47147, CHEBI:439744, GPN001119, CID5351169, D011353, 2,2'-bi-1H-Pyrrole, 4-methoxy-5-((5-methyl-4-pentyl-2H-pyrrol-2-ylidene)methyl)-

Molecular Formula:	C₂₀H₂₅N₃O	Molecular Weight:	323.432000 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: WKGQSEFBQTWRPT-UUPRNIFOSA-N

• Prosulfuron

IUPAC Name: 1-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-3-[2-(3,3,3-trifluoropropyl)phenyl]sulfonylurea | CAS Registry Number: 94125-34-5
Synonyms: Prosulfuron [ISO], CID91751, ZINC00900594, NCGC00163833-01, NCGC00163833-02, NCGC00163833-03, NCGC00163833-04, LS-31630, C10950, Benzenesulfonamide, N-(((4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino)carbonyl)-2-(3,3,3-trifluoropropyl)-, N-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]-2-(3,3,3-trifluoropropyl)benzenesulfonamide

Molecular Formula:	C₁₅H₁₆F₃N₅O₄S	Molecular Weight:	419.378850 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	10

InChIKey: LTUNNEGNEKBSEH-UHFFFAOYSA-N

• Proteinase K

IUPAC Name: (4-nitrophenyl)methyl (4R,5S,6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-3,4-diphenoxy-5-phosphonooxy-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate | CAS Registry Number: 39450-01-6

Molecular Formula:	C₂₉H₂₇N₂O₁₂P	Molecular Weight:	626.511 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	12

InChIKey: OUPAKHMWUJJXOM-ANOMEZDXSA-N

• Pyridone 6

Synonyms: JAK Inhibitor I, InSolution™ JAK Inhibitor I, Merck-5, 2-(1,1-Dimethylethyl)-9-fluoro-3,6-dihydro-7H-benz[h]-imidaz[4,5-f]isoquinolin-7-one, 2-(1,1-DIMETHYLETHYL)9-FLUORO-3,6-DIHYDRO-7H-BENZ[H]-IMIDAZ[4,5-F]ISOQUINOLIN-7-ONE, IZA, 2-TERT-BUTYL-9-FLUORO-3,6-DIHYDRO-7H-BENZ[H]-IMIDAZ[4,5-F]ISOQUINOLINE-7-ONE, P6, JAK Inhibitor, Compound # 2, Kinome_3740, PubChem22471, 2b7a, Tetracyclic Pyridone, 1, SureCN904545, SureCN1679794, CMP 6, CHEMBL21156, STO185, CTK8E9239

Molecular Formula:	C₁₈H₁₆FN₃O	Molecular Weight:	309.337543 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: VNDWQCSOSCCWIP-UHFFFAOYSA-N

• Pyroxamide

IUPAC Name: N'-hydroxy-N-pyridin-3-yloctanediamide | CAS Registry Number: 382180-17-8
Synonyms: pyroxamide, nchembio.313-comp13, POLAR HYBRID COMPOUND, CID4996, CHEBI:373911, NSC696085, N-Hydroxy-N'-3-pyridinyloctanediamide, NSC-696085, NCI60_034337, Octanediamide, N-hydroxy-N'-3-pyridinyl-, suberoyl-3-aminopyridineamide hydroxamic acid, N-Hydroxy-N'-(3-pyridyl)-1,8-octanediamide, Octanedioic acid hydroxyamide pyridin-3-ylamide

Molecular Formula:	C₁₃H₁₉N₃O₃	Molecular Weight:	265.308260 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	4

InChIKey: PTJGLFIIZFVFJV-UHFFFAOYSA-N

• Quarfloxin

Synonyms: Quarfloxacin, UNII-8M31J5031Q, CX 3543

Molecular Formula:	C₃₅H₃₃FN₆O₃	Molecular Weight:	604.673323 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	9

InChIKey: WOQIDNWTQOYDLF-RPWUZVMVSA-N

• R-138727

IUPAC Name: 2-[1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-4-sulfanylpiperidin-3-ylidene]acetic acid | CAS Registry Number: 204204-73-9
Synonyms: (2Z)-2-[1-[2-CYCLOPROPYL-1-(2-FLUOROPHENYL)-2-OXOETHYL]-4-MERCAPTO-PIPERIDIN-3-YLIDENE]ACETIC ACID, AGN-PC-00PC04, CTK4E4175, AG-E-49681, (2E)-2-[1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-4-sulfanylpiperidin-3-ylidene]acetic acid

Molecular Formula:	C₁₈H₂₀FNO₃S	Molecular Weight:	349.419703 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	6

InChIKey: ZWUQVNSJSJHFPS-UHFFFAOYSA-N

• R406

IUPAC Name: benzenesulfonate;6-[[5-fluoro-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]amino]-2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one | CAS Registry Number: 841290-81-1
Synonyms: KB-80318

Molecular Formula:	C₂₈H₂₈FN₆O₈S-	Molecular Weight:	627.620723 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	14

InChIKey: UXDRJPYSTZHIOE-UHFFFAOYSA-M

• R406 free base

IUPAC Name: 6-[[5-fluoro-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]amino]-2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one | CAS Registry Number: 841290-80-0
Synonyms: R406(free base), R-406, 6-(5-fluoro-2-(3,4,5-trimethoxyphenylamino)pyrimidin-4-ylamino)-2,2-dimethyl-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one, 6-({5-Fluoro-2-[(3,4,5-Trimethoxyphenyl)amino]pyrimidin-4-Yl}amino)-2,2-Dimethyl-2h-Pyrido[3,2-B][1,4]oxazin-3(4h)-One, 6-[[5-Fluoro-2-[(3,4,5-trimethoxyphenyl)amino]-4-pyrimidinyl]amino]-2,2-dimethyl-2H-pyrido[3,2-b]-1,4-oxazin-3(4H)-one, R 406, 3fqs, 3piy, 6-((5-fluoro-2-((3,4,5-trimethoxyphenyl)amino)-4-pyrimidinyl)amino)-2,2-dimethyl-2h-pyrido(3,2-b)-1,4-oxazin-3(4h)-one, S1533_Selleck, Kinome_1211, PubChem22483, 841290-81-1, SureCN1200144, QCR-9, cc-243, AGN-PC-004I2D, CHEMBL475251, CTK5F1857, CHEBI:560144

Molecular Formula:	C₂₂H₂₃FN₆O₅	Molecular Weight:	470.453623 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	11

InChIKey: NHHQJBCNYHBUSI-UHFFFAOYSA-N

• R547

IUPAC Name: [4-amino-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrimidin-5-yl]-(2,3-difluoro-6-methoxyphenyl)methanone | CAS Registry Number: 741713-40-6
Synonyms: R-547, 741713-40-6 pound not R 547, (4-Amino-2-{[1-(Methylsulfonyl)piperidin-4-Yl]amino}pyrimidin-5-Yl)(2,3-Difluoro-6-Methoxyphenyl)methanone, [4-Amino-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrimidin-5-yl](2,3-difluoro-6-methoxyphenyl)methanone, (4-Amino-2-[(1-methylsulfonylpiperidin-4-yl)amino)pyrimidin-5-yl)(2,3-difluoro-6-methoxyphenyl)methanone, SureCN2397067, UNII-T61871RKRI, cc-270, CS-0022, RL04812, NCGC00346632-01, HY-10014, KB-36226, FT-0687511, R 547, RO-4584820, Y0369, R547|741713-40-6|R-547, 4-Amino-2-(1-methylsulfonylpiperidin-4-yl)aminopyrimidin-5-yl(2,3-difluoro-6-methoxyphenyl)methanone, 5-(2,3-difluoro-6-methoxybenzoyl)-2-N-(1-methanesulfonylpiperidin-4-yl)pyrimidine-2,4-diamine

Molecular Formula:	C₁₈H₂₁F₂N₅O₄S	Molecular Weight:	441.452246 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	11

InChIKey: JRNJNYBQQYBCLE-UHFFFAOYSA-N

• R547 (CAS: 741713-40-1)

• Rabeprazole sodium

IUPAC Name: sodium 2-[[4-(3-methoxypropoxy)-3-methylpyridin-2-yl]methylsulfinyl]benzimidazol-1-ide | CAS Registry Number: 117976-90-6
Synonyms: Aciphex, Pariet, rabeprazole, RABEPRAZOLE SODIUM, Sodium rabeprazole, Pariprazole sodium, Aciphex (TN), Rabeprazole sodium salt, Pariet (TN), LY 307640 sodium, Rabeprazole sodium [USAN], Sodium rabeprazole (JAN), Rabeprazole sodium (USAN), MLS001165734, C18H20N3O3S.Na, CHEBI:8769, LY-307640, LY307640, SMR000550493, E 3810

Molecular Formula:	C₁₈H₂₀N₃NaO₃S	Molecular Weight:	381.424470 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	6

InChIKey: KRCQSTCYZUOBHN-UHFFFAOYSA-N

• RAF265

IUPAC Name: 1-methyl-5-[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridin-4-yl]oxy-N-[4-(trifluoromethyl)phenyl]benzimidazol-2-amine | CAS Registry Number: 927880-90-8
Synonyms: CHIR-265, RAF-265, CHIR265, RAF 265, RAF265(CHIR-265), RAF265, CHIR-265, 927880-90-8, CHIR-265 , 927880-90-8, CHIR265, 1-Methyl-5-[[2-[5-(trifluoromethyl)-1h-imidazol-2-yl]-4-pyridinyl]oxy]-n-[4-(trifluoromethyl)phenyl]-1h-benzimidazol-2-amine, S2161_Selleck, PubChem22594, cc-117, AGN-PC-00DJ96, CHEMBL558752, CHIR 265, MolPort-016-633-290, ACN-S001859, RAF 265, CHIR 265, RAF265 - CHIR-265, ABP000414, CHIR 265 (RAF 265)

Molecular Formula:	C₂₄H₁₆F₆N₆O	Molecular Weight:	518.413859 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	11

InChIKey: YABJJWZLRMPFSI-UHFFFAOYSA-N

• RAF265(CHIR265)

• Raltegravir

IUPAC Name: N-[2-[4-[(4-fluorophenyl)methylcarbamoyl]-5-hydroxy-1-methyl-6-oxopyrimidin-2-yl]propan-2-yl]-5-methyl-1,3,4-oxadiazole-2-carboxamide | CAS Registry Number: 518048-05-0
Synonyms: Isentress, MK-0518, Isentress(TM), UNII-22VKV8053U, S2005_Selleck, CHEMBL254316, MK-518, N-(2-(4-(4-fluorobenzylcarbamoyl), AC-2062, MK 0518, NCGC00184997-01, AB1004864, D06676, K-0518, DSSTox_CID_28586, DSSTox_RID_82857, DSSTox_GSID_48660, I14-1973, CHEMBL1162988, 871038-72-1, Isentress, Raltegravir potassium, MK-518, D07133

Molecular Formula:	C₂₀H₂₁FN₆O₅	Molecular Weight:	444.416343 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	9

InChIKey: CZFFBEXEKNGXKS-UHFFFAOYSA-N

• Raltegravir potassium

IUPAC Name: potassium 4-[(4-fluorophenyl)methylcarbamoyl]-1-methyl-2-[2-[(5-methyl-1,3,4-oxadiazole-2-carbonyl)amino]propan-2-yl]-6-oxopyrimidin-5-olate | CAS Registry Number: 871038-72-1
Synonyms: Isentress, Isentress (TN), Raltegravir potassium (JAN), MK-518, MK-0518, D07133

Molecular Formula:	C₂₀H₂₀FKN₆O₅	Molecular Weight:	482.506703 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	9

InChIKey: IFUKBHBISRAZTF-UHFFFAOYSA-M

• Ramoplanin

Synonyms: Antibiotic A 16686, Ramoplanin [USAN:INN], Ramoplanin (USAN/INN), C112H142ClN21O35, MDL 62,198, A 16686A, LS-143274, A 16686, D05696, Glycolipodepsi peptide antibiotic produced by actinoplanes species ATCC33076, Antibiotic A 16686, 2-(((3alpha,5beta)-3-hydroxy-7,24-dioxocholan-24-yl)amino)-, (SP-4-2)-, Glycolipodepsi peptide antibiotic produced by actinoplanes species ATCC33076. Ramoplanin is a complex antibiotic consisting of a main component designated as ramoplanin A2 and a small amount of related substances, ramoplanin A1, A'1, A'2, A3, and A'3

Molecular Formula:	C₁₀₆H₁₇₀ClN₂₁O₃₀	Molecular Weight:	2254.059700 [g/mol]
H-Bond Donor:	31	H-Bond Acceptor:	32

InChIKey: FSBZBQUUCNYWOK-YIOPJBSBSA-N

• Rapamycin

Synonyms: rapamycin, Sirolimus, Rapamune, 1fkb, 1pbk, LCP-Siro, (-)-Rapamycin, nchembio.79-comp1, nchembio762-comp1, nchembio883-comp3, nchembio.100-comp4, Sirolimus (RAPAMUNE), (-)-Rapamycin;Rapamune, Antibiotic AY 22989, BiomolKI2_000084, nchembio.2007.42-comp2, Sirolimus [USAN:BAN:INN], CCRIS 9024, R0395_SIAL, SILA 9268A

Molecular Formula:	C₅₁H₇₉NO₁₃	Molecular Weight:	914.171860 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	13

InChIKey: QFJCIRLUMZQUOT-HPLJOQBZSA-N

• Raubasine

Synonyms: Ajmalicine, Hydrosarpan, Ajmalicin, Circolene, Raubaserp, Raubasil, Raubasin, Raumalina, Rauvasan, Vinceine, Lamuran, Ranitol, Vincain, Vincein, Sarpan, Tensyl, delta-Yohimbine, akuammigine, Alkaloid C, Alkaloid F

Molecular Formula:	C₂₁H₂₄N₂O₃	Molecular Weight:	352.426860 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	5

InChIKey: GRTOGORTSDXSFK-XJTZBENFSA-N

• Regorafenib

IUPAC Name: 4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-3-fluorophenoxy]-N-methylpyridine-2-carboxamide | CAS Registry Number: 755037-03-7
Synonyms: BAY 73-4506, Regorafenibum, Stivarga, UNII-24T2A1DOYB, BAY73-4506, CHEMBL1946170, CHEBI:68647, Regorafenib, 755037-03-7, 4-[4-({[4-Chloro-3-(trifluoromethyl)phenyl]carbamoyl}amino)-3-fluorophenoxy]-N-methylpyridine-2-carboxamide, BAY-73-4506, 4-(4-(3-(4-Chloro-3-(trifluoromethyl)phenyl)ureido)-3-fluorophenoxy)-N-methylpicolinamide, Regorafenib, BAY 73-4506, 4-(4-(((4-chloro-3-(trifluoromethyl)phenyl)carbamoyl}amino)-3-fluorophenoxy)-N-methylpyridine-2-carboxamide, S1178_Selleck, Regorafenib (USAN/INN), Regorafenib [USAN:INN], SureCN432230, 24T2A1DOYB, BAY-734506 monohydrate, BAY73-4506 hydrochloride

Molecular Formula:	C₂₁H₁₅ClF₄N₄O₃	Molecular Weight:	482.815413 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	8

InChIKey: FNHKPVJBJVTLMP-UHFFFAOYSA-N

• Rel-(3r,3as,6ar)-Hexahydrofuro[2,3-B]furan-3-Yl 4-Nitrophenyl Carbonate

IUPAC Name: [(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] (4-nitrophenyl) carbonate | CAS Registry Number: 252873-35-1
Synonyms: SCHEMBL146296, ULTSJNOQNKVDBM-SDDRHHMPSA-N, (3R,3?S,6?R)-Hexahydrofuro[2,3-?]furan-3-yl-4-nitrophenyl carbonate, (3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl (4-nitrophenyl) carbonate, (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl 4-nitrophenyl carbonate, (3R,3aS,6aR)hexahydrofuro[2,3-b]furan-3-yl 4-nitrophenyl carbonate

Molecular Formula:	C₁₃H₁₃NO₇	Molecular Weight:	295.244820 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	7

InChIKey: ULTSJNOQNKVDBM-SDDRHHMPSA-N

• Repaglinide

IUPAC Name: 2-ethoxy-4-[2-[[(1S)-3-methyl-1-(2-piperidin-1-ylphenyl)butyl]amino]-2-oxoethyl]benzoic acid | CAS Registry Number: 135062-02-1
Synonyms: Prandin, NovoNorm, Actulin, GlucoNorm, Repaglinide [USAN], Prandin (TN), Repaglinidum [INN-Latin], Repaglinida [INN-Spanish], Prestwick0_001046, Prestwick1_001046, Prestwick2_001046, Prestwick3_001046, AG-EE 388 ZW, AG-EE 623 ZW, BSPBio_000972, MLS000759407, MLS001076684, R9028_SIGMA, Repaglinide (JAN/USP/INN), SPBio_002906

Molecular Formula:	C₂₇H₃₆N₂O₄	Molecular Weight:	452.585740 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	5

InChIKey: FAEKWTJYAYMJKF-QHCPKHFHSA-N

• Resminostat

IUPAC Name: (E)-3-[1-[4-[(dimethylamino)methyl]phenyl]sulfonylpyrrol-3-yl]-N-hydroxyprop-2-enamide | CAS Registry Number: 864814-88-0
Synonyms: Resminostat (RAS2410), Resminostat [INN], Resminostat 4SC-201, cc-349, UNII-1578EUB98L, Y0292, S2693,RAS2410,4SC-201, BYK408740,864814-88-0, (2E)-3-(1-((4-((Dimethylamino)methyl)phenyl)sulfonyl)-1h-pyrrol-3-yl)-N-hydroxyprop-2-enamide

Molecular Formula:	C₁₆H₁₉N₃O₄S	Molecular Weight:	349.404760 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	5

InChIKey: FECGNJPYVFEKOD-VMPITWQZSA-N

• Ribavirin

IUPAC Name: 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazole-3-carboxamide | CAS Registry Number: 36791-04-5
Synonyms: ribavirin, Virazole, Copegus, Rebetol, Ribasphere, Tribavirin, Viramid, Vilona, Rebetron, Ribamide, Ribamidil, Ribamidyl, Varazid, Ribavirine, Rebretron, Ribovirin, Viramide, Virazid, Ribav, Ribavirin Capsules

Molecular Formula:	C₈H₁₂N₄O₅	Molecular Weight:	244.204680 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	8

InChIKey: IWUCXVSUMQZMFG-AFCXAGJDSA-N

• Riboflavin phosphate sodium

IUPAC Name: sodium [(2S,3R,4R)-5-(7,8-dimethyl-2,4-dioxobenzo[g]pteridin-10-yl)-2,3,4-trihydroxypentyl] hydrogen phosphate | CAS Registry Number: 130-40-5
Synonyms: Riboflavin-5-phosphate sodium, Riboflavin 5'-phosphate sodium, Riboflavin-5'-phosphate sodium, Sodium riboflavin 5'-phosphate, RIBOFLAVIN PHOSPHATE SODIUM, EINECS 204-988-6, Riboflavin monophosphate monosodium salt, Riboflavin 5'-(sodium hydrogen phosphate), LS-188082, Riboflavin 5'-(dihydrogen phosphate), monosodium salt, Riboflavine 5'-(sodium hydrogen phosphate), dihydrate, Riboflavin 5'-(dihydrogen phosphate), monosodium salt, dihydrate, 146-17-8, 214464-97-8

Molecular Formula:	C₁₇H₂₀N₄NaO₉P	Molecular Weight:	478.325631 [g/mol]
H-Bond Donor:	5	H-Bond Acceptor:	11

InChIKey: OHSHFZJLPYLRIP-LQDWTQKMSA-M

• Ricolinostat

IUPAC Name: N-[7-(hydroxyamino)-7-oxoheptyl]-2-(N-phenylanilino)pyrimidine-5-carboxamide | CAS Registry Number: 1316214-52-4
Synonyms: ACY-1215, Ricolinostat [USAN], Rocilinostat (ACY-1215), cc-661, ACY-63, CHEMBL2364628, ACY1215, ACY 1215, CS-0965, NCGC00345802-01, HY-16026, ACY-1215|1316214-52-4|ACY1215|ACY 1215, S8001, ACY1215, ACY 1215, 1316214-52-4, 2-(Diphenylamino)-N-(7-(hydroxyamino)-7-oxoheptyl)pyrimidine-5-carboxamide, 5-Pyrimidinecarboxamide, 2-(diphenylamino)-N-(7-(hydroxyamino)-7-oxoheptyl)-

Molecular Formula:	C₂₄H₂₇N₅O₃	Molecular Weight:	433.502880 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	6

InChIKey: QGZYDVAGYRLSKP-UHFFFAOYSA-N

• Riociguat

IUPAC Name: methyl N-[4,6-diamino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]pyrimidin-5-yl]-N-methylcarbamate | CAS Registry Number: 625115-55-1
Synonyms: Adempas, CHEBI:76018, BAY 63-2521, Methyl N-(4,6-diamino-2-{1-((2-fluorophenyl)methyl)-1H-pyrazolo(3,4-b)pyridin-3-yl}pyrimidin-5-yl)-N-methylcarbamate, N-[4,6-Diamino-2-[1-[(2-fluorophenyl)methyl]-1H-pyrazolo[3,4-b]pyridin-3-yl]-5-pyrimidinyl]-N-methylcarbamic acid methyl ester, riociguatum, Riociguat (JAN/INN), UNII-RU3FE2Y4XI, SureCN245457, Bay 63-2521,Riociguat, Riociguat [USAN:INN:JAN], AGN-PC-006EK8, CHEMBL2107834, QCR-167, Riociguat,CAS:625115-55-1, AKOS015900718, BAY 632521, BAY-632521, BCP9000382, CS-0584

Molecular Formula:	C₂₀H₁₉FN₈O₂	Molecular Weight:	422.415663 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	9

InChIKey: WXXSNCNJFUAIDG-UHFFFAOYSA-N

• RITA

IUPAC Name: [5-[5-[5-(hydroxymethyl)thiophen-2-yl]furan-2-yl]thiophen-2-yl]methanol | CAS Registry Number: 213261-59-7
Synonyms: SOS BISMETHANOL, NCIChal_000017, NCIMech_000598, p53 Activator III, RITA, NSC652287, NSC 652287, CID374536, ZINC00006846, NCGC00159570-01, 2,5-bis(5-hydroxymethyl-2-thienyl)furan, NCI60_018346, 2,5-bis-(5-Hydroxymethyl-2-thienyl)-furan, Furan, 2,5-bis[5-(hydroxymethyl)-2-thienyl]-, 2-thiophenemethanol, 5,5'-(2,5-furandiyl)bis-, Thiophene-2-methanol, 5,5'-(2,5-furandiyl)bis-, 2-Thiophenemethanol, 5,5'-(2,5-furandiyl)bis- (9CI), Reactivation of p53 and Induction of Tumor cell Apoptosis

Molecular Formula:	C₁₄H₁₂O₃S₂	Molecular Weight:	292.373280 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: KZENBFUSKMWCJF-UHFFFAOYSA-N

• Ritonavir

IUPAC Name: 1,3-thiazol-5-ylmethyl N-[(2S,3S,5S)-3-hydroxy-5-[[(2S)-3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-di(phenyl)hexan-2-yl]carbamate | CAS Registry Number: 155213-67-5
Synonyms: ritonavir, Norvir, Kaletra, Mixture Name, 1hxw, Ritonavir [USAN], Component of Kaletra, Norvir (TM), Norvir (TN), Abbott 84538, 1sh9, ABT-538, MLS000759541, MLS001424063, Ritonavir (JAN/USAN/INN), ABT538, STOCK6S-48483, HSDB 7160, C37H48N6O5S2, NSC693184

Molecular Formula:	C₃₇H₄₈N₆O₅S₂	Molecular Weight:	720.944220 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	7

InChIKey: NCDNCNXCDXHOMX-XGKFQTDJSA-N

• RJR-2403

IUPAC Name: (E)-N-methyl-4-pyridin-3-ylbut-3-en-1-amine

Molecular Formula:	C₁₀H₁₄N₂	Molecular Weight:	162.231560 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: JUOSGGQXEBBCJB-GORDUTHDSA-N

• Rocuronium bromide

IUPAC Name: [(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-3-hydroxy-10,13-dimethyl-2-morpholin-4-yl-16-(1-prop-2-enylpyrrolidin-1-ium-1-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate bromide | CAS Registry Number: 119302-91-9
Synonyms: Zemuron, Esmeron, Eslax, ROCURONIUM BROMIDE, Zemuron (TN), Org-9426, Rocuronium bromide (JAN/USAN/INN), D00765, (2beta,3alpha,5alpha,16beta,17beta)-17-(acetyloxy)-3-hydroxy-2-morpholin-4-yl-16-(1-prop-2-en-1-ylpyrrolidinium-1-yl)androstane bromide

Molecular Formula:	C₃₂H₅₃BrN₂O₄	Molecular Weight:	609.678220 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	6

InChIKey: OYTJKRAYGYRUJK-FMCCZJBLSA-M

• Roflumilast

IUPAC Name: 3-(cyclopropylmethoxy)-N-(3,5-dichloropyridin-4-yl)-4-(difluoromethoxy)benzamide | CAS Registry Number: 162401-32-3
Synonyms: DAXAS, 1xmu, 1xoq, Roflumilast [USAN], Roflumilast (JAN/USAN/INN), BY217, BYK20869, APTA-2217, BY-217, CID449193, LS-26272, D05744, B9302-107, C424423, 3-(CYCLOPROPYLMETHOXY)-N-(3,5-DICHLOROPYRIDIN-4-YL)-4-(DIFLUOROMETHOXY)BENZAMIDE, 3-Cyclopropylmethoxy-N-(3,5-dichloropyridin-4-yl)-4-(difluoromethoxy)benzamide, 3-cyclopropylmethoxy-4-difluoromethoxy-N-(3,5-di-chloropyrid-4-yl)benzamide, ROF, Benzamide, 3-(cyclopropylmethoxy)-N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-, Benzamide, 3-(cyclopropylmethoxy)-N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-

Molecular Formula:	C₁₇H₁₄Cl₂F₂N₂O₃	Molecular Weight:	403.207466 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	6

InChIKey: MNDBXUUTURYVHR-UHFFFAOYSA-N

• Rotigotine Hydrochloride

IUPAC Name: (6S)-6-[propyl(2-thiophen-2-ylethyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol hydrochloride | CAS Registry Number: 125572-93-2
Synonyms: Rotigotine hydrochloride, (-)-5,6,7,8-Tetrahydro-6-(propyl(2-(2-thienyl)ethyl)amino)-1-naphthol hydrochloride, 1-Naphthalenol, 5,6,7,8-tetrahydro-6-(propyl(2-(2-thienyl)ethyl)amino)-, hydrochloride, (S)-

Molecular Formula:	C₁₉H₂₆ClNOS	Molecular Weight:	351.933840 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: CEXBONHIOKGWNU-NTISSMGPSA-N

• RS 504393

IUPAC Name: 6-methyl-1'-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]spiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one | CAS Registry Number: 300816-15-3
Synonyms: RS-504393, 6-Methyl-1'-(2-(5-methyl-2-phenyloxazol-4-yl)ethyl)spiro[benzo[d][1,3]oxazine-4,4'-piperidin]-2(1H)-one, ACMC-20a25e, SureCN9972645, CHEMBL134074, CTK4G4374, CHEBI:317337, MolPort-021-804-998, BCPP000086, HMS3269M19, ABP000463, ANW-53712, DPR000102, AKOS015842093, AG-I-03405, CS-0851, NCGC00167758-01, AK-88526, HY-15418, KB-45732

Molecular Formula:	C₂₅H₂₇N₃O₃	Molecular Weight:	417.500180 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	5

InChIKey: ODNICNWASXKNNQ-UHFFFAOYSA-N

• RS102895

IUPAC Name: 1'-[2-[4-(trifluoromethyl)phenyl]ethyl]spiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one;hydrochloride | CAS Registry Number: 300815-41-2
Synonyms: RS 102895 hydrochloride, AGN-PC-015IZN, SureCN3719729, CTK8F0373, MolPort-003-983-802, NCGC00092306-01, RS 102895, 1 inverted exclamation marka-[2-[4-(Trifluoromethyl)phenyl]ethyl]-spiro[4H-3,1-benzoxazine-4,4 inverted exclamation marka-peperidin]-2(1H)-one, 1'-[2-[4-(trifluoromethyl)phenyl]ethyl]spiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one;hydrochloride

Molecular Formula:	C₂₁H₂₂ClF₃N₂O₂	Molecular Weight:	426.859790 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	6

InChIKey: KRRISOFSWVKYBF-UHFFFAOYSA-N

• RU 58841

IUPAC Name: 4-[3-(4-hydroxybutyl)-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile | CAS Registry Number: 154992-24-2
Synonyms: CHEBI:105155, CID132981, RU-58841, 4-(3-(4-hydroxybutyl)-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-(trifluoromethyl)benzonitrile, 4-(4,4-Dimethyl-2,5-dioxo-3-(4-hydroxybutyl)-1-imidazolidinyl)-2-(trifluoromethyl)benzonitrile, 4-[3-(4-Hydroxy-butyl)-4,4-dimethyl-2,5-dioxo-imidazolidin-1-yl]-2-trifluoromethyl-benzonitrile, Benzonitrile, 4-(3-(4-hydroxybutyl)-4,4-dimethyl-2,5-dioxo-1-imidazolidinyl)-2-(trifluoromethyl)-

Molecular Formula:	C₁₇H₁₈F₃N₃O₃	Molecular Weight:	369.338330 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	7

InChIKey: ARBYGDBJECGMGA-UHFFFAOYSA-N

• Rubidomycin

IUPAC Name: (7S,9S)-9-acetyl-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione | CAS Registry Number: 20830-81-3
Synonyms: daunorubicin, Daunomycin, Acetyladriamycin, Leukaemomycin C, Daunarubicinum, Daunorrubicina, Daunorubicine, Rubomycin C, Daunamycin, Cerubidin, DaunoXome, Daunoblastine, Anthracyline, Cerubidine, Daunoblastin, (+)-Daunomycin, Rubomycin, Dauno-Rubidomycine, nchembio723-comp2, Tocris-1467

Molecular Formula:	C₂₇H₂₉NO₁₀	Molecular Weight:	527.519860 [g/mol]
H-Bond Donor:	5	H-Bond Acceptor:	11

InChIKey: STQGQHZAVUOBTE-VGBVRHCVSA-N

• Rucaparib Phosphate

Synonyms: AG-014699, Rucaparib phosphate, PF-01367338, AG-14699, AG 014699, AG014699, AG-014447, AG-14447, Rucaparib, PF-01367338, AG-014447, 459868-92-9, PubChem22411, cc-55, Rucaparib AG 014699, SureCN844872, Rucaparib phosphate (USAN), AG-014699 - Rucaparib, CHEMBL2105733, AG-014447 (as free base), ABP000420, CO-338, KB-80434

Molecular Formula:	C₁₉H₂₁FN₃O₅P	Molecular Weight:	421.359305 [g/mol]
H-Bond Donor:	6	H-Bond Acceptor:	7

InChIKey: FCCGJTKEKXUBFZ-UHFFFAOYSA-N

• S31-M2001

IUPAC Name: [4-[[4-(hexylcarbamoyl)-2-naphthalen-1-yl-1,3-oxazol-5-yl]methyl]phenyl] dihydrogen phosphate

Molecular Formula:	C₂₇H₂₉N₂O₆P	Molecular Weight:	508.511 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	7

InChIKey: NUEVMWXZKGBDPT-UHFFFAOYSA-N

• Saclofen

IUPAC Name: 3-amino-2-(4-chlorophenyl)propane-1-sulfonic acid | CAS Registry Number: 125464-42-8
Synonyms: saclofen, Biomol-NT_000242, BPBio1_000705, CHEBI:226133, MolPort-003-824-767, CID122150, NCGC00024514-02, LS-186963, LS-187609, beta-(Aminomethyl)-4-chlorobenzeneethanesulfonic acid, Benzeneethanesulfonic acid, beta-(aminomethyl)-4-chloro-, L001268, 3-Amino-2-(4-chloro-phenyl)-propane-1-sulfonic acid, BRD-A24122750-001-01-1, 3-AMINO-2-(4-CHLOROPHENYL)-PROPANE SULFONIC ACID

Molecular Formula:	C₉H₁₂ClNO₃S	Molecular Weight:	249.714480 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: JYLNVJYYQQXNEK-UHFFFAOYSA-N

• Salidroside

IUPAC Name: (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[2-(4-hydroxyphenyl)ethoxy]oxane-3,4,5-triol | CAS Registry Number: 10338-51-9
Synonyms: Rhodioloside, Rhodosin, Tyrosol glucoside, Ambap2363, Glucopyranoside, p-hydroxyphenethyl, MEGxp0_000478, ACon1_000366, CID159278, NCGC00169145-01, LS-71547, 2-(4-Hydroxyphenyl)ethyl beta-D-glucopyranoside, beta-D-Glucopyranoside, 2-(4-hydroxyphenyl)ethyl, C06046, p-Hydroxyphenethyl alcohol 1-O-beta-D-glucoside

Molecular Formula:	C₁₄H₂₀O₇	Molecular Weight:	300.304400 [g/mol]
H-Bond Donor:	5	H-Bond Acceptor:	7

InChIKey: ILRCGYURZSFMEG-RKQHYHRCSA-N

• Sapanisertib

IUPAC Name: 5-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine | CAS Registry Number: 1224844-38-5
Synonyms: INK 128, SureCN7902875, INK128, INK-128, INK-128/INK128, BCP9000789, CS-0557, NCGC00346654-01, HY-13328, BCP0726000086, INK-128,CAS:1224844-38-5, INK-128|1224844-38-5|INK128

Molecular Formula:	C₁₅H₁₅N₇O	Molecular Weight:	309.325900 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	7

InChIKey: GYLDXIAOMVERTK-UHFFFAOYSA-N

• Sapitinib

IUPAC Name: 2-[4-[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]-N-methylacetamide | CAS Registry Number: 848942-61-0
Synonyms: AZD8931, CHEMBL2408045, AZD-8931, AZD8931, AZD 8931, Sapitinib [INN], 2-(4-((4-((3-Chloro-2-fluorophenyl)amino)-7-methoxyquinazolin-6-yl)oxy)piperidin-1-yl)-n-methylacetamide, 2-[4-({4-[(3-chloro-2-fluorophenyl)amino]-7-methoxyquinazolin-6-yl}oxy)piperidin-1-yl]-N-methylacetamide, S2192_Selleck, Sapitinib [WHO-DD], SureCN202358, AGN-PC-00A3ZY, cc-427, MolPort-016-633-303, BCPP000365, AZD 8931, BCP9000357, QC-7257, RL05221, AZD8931-Supplied by Selleck Chemicals, NCGC00346573-01

Molecular Formula:	C₂₃H₂₅ClFN₅O₃	Molecular Weight:	473.927703 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	8

InChIKey: DFJSJLGUIXFDJP-UHFFFAOYSA-N

• Saracatinib

IUPAC Name: N-(5-chloro-1,3-benzodioxol-4-yl)-7-[2-(4-methylpiperazin-1-yl)ethoxy]-5-(oxan-4-yloxy)quinazolin-4-amine | CAS Registry Number: 379231-04-6
Synonyms: AZD0530, AZD-0530, nchembio866-comp19, S1006_Selleck, 2h8h, AZD 0530, CHEMBL217092, CHEBI:47458, AKOS005145757, AC-5249, N-(5-Chloro-1,3-benzodioxol-4-yl)-7-(2-(4-methylpiperazin-1-yl)ethoxy)-5-(tetrahydro-2H-pyran-4-yloxy)quinazolin-4-amine, Saracatinib, AZD-0530, AZD0530, LS-193231, ST51054135, I14-1980, 4-(6-Chloro-2,3-methylenedioxyanilino)-7-(2-(4-methylpiperazin-1-yl)ethoxy)-5-tetrahydropyran-4-yloxyquinazoline, 4-Quinazolinamine, N-(5-chloro-1,3-benzodioxol-4-yl)-7-(2-(4-methyl-1-piperazinyl)ethoxy)-5-((tetrahydro-2H-pyran-4-yl)oxy)-, H8H, N-(5-Chloro-1,3-benzodioxol-4-yl)-7-[2-(4-methyl-1-piperazinyl)ethoxy]-5-[(tetrahydro-2H-pyran-4-yl)oxy]-4-quinazolinamine, N-(5-chloro-1,3-benzodioxol-4-yl)-7-[2-(4-methylpiperazin-1-yl)ethoxy]-5-(tetrahydro-2H-pyran-4-yloxy)quinazolin-4-amine

Molecular Formula:	C₂₇H₃₂ClN₅O₅	Molecular Weight:	542.026480 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	10

InChIKey: OUKYUETWWIPKQR-UHFFFAOYSA-N

• Sarecycline hydrochloride

IUPAC Name: (4S,4aS,5aR,12aR)-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-7-[[methoxy(methyl)amino]methyl]-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;hydrochloride | CAS Registry Number: 1035979-44-2
Synonyms: Sarecycline Hydrochloride, WC3035, P005672 HCl, cc-302, Sarecycline Hydrochloride [USAN], (4S,4aS,5aR,12aS)-4-(dimethylamino)-3,10,12,12a-tetrahydroxy-7-((methoxymethylamino)methyl)-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide monohydrochloride, 2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,10,12,12a-tetrahydroxy-7-((methoxymethylamino)methyl)-1,11-dioxo-, hydrochloride (1:1), (4S,4aS,5aR,12aS)-

Molecular Formula:	C₂₄H₃₀ClN₃O₈	Molecular Weight:	523.963300 [g/mol]
H-Bond Donor:	6	H-Bond Acceptor:	10

InChIKey: JGPBDCKZLBSHOI-FIPJBXKNSA-N