CFam Chemical Families Database
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You are searching for "CFAMM00454123" in compound.

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CFAM Mol ID CFAMM00454123
Family CFFBM20015 Prothrombin inhibitor N-[(2S)-3-(4-aminophenyl)-1-[4-(2-fluoroethyl)piperidin-1-yl]-1-oxopropan-2-yl]-4-[[(2S)-1-hydroxy-3-(4-methoxyphenyl)propan-2-yl]amino]pyridine-3-sulfonamide family
Superfamily CFSBM5379 Prothrombin and Pol polyprotein Binder Superfamily 2
Class CFCAD85 Class 85
External ID CHEMBL8621 External Source CHEMBL
PubChem CID 44265358 Functional Category Bioactive
Molecule Name N-[(2S)-3,4-dioxo-1-phenyl-4-(pyridin-2-ylmethylamino)butan-2-yl]-2-ethyl-1,1-dioxo-3,4,7,8-tetrahydro-[1,4]dioxino[2,3-g][1,2]benzothiazine-3-carboxamide
IUPAC Name N-[(2S)-3,4-dioxo-1-phenyl-4-(pyridin-2-ylmethylamino)butan-2-yl]-2-ethyl-1,1-dioxo-3,4,7,8-tetrahydro-[1,4]dioxino[2,3-g][1,2]benzothiazine-3-carboxamide
Synonyms CHEBI:103925
InChi InChI=1S/C29H30N4O7S/c1-2-33-23(15-20-16-24-25(40-13-12-39-24)17-26(20)41(33,37)38)28(35)32-22(14-19-8-4-3-5-9-19)27(34)29(36)31-18-21-10-6-7-11-30-21/h3-11,16-17,22-23H,2,12-15,18H2,1H3,(H,31,36)(H,32,35)/t22-,23?/m0/s1
Formula C29H30N4O7S Molecular Weight 578.64
Cross Link CHEMBL8621

Statistics of CFAM Database

CFAM currently contains 490,279 molecules in 87,136 families, 34,880 superfamilies and 11,643 classes.

How to cite our database

C. Zhang, L. Tao, C. Qin, P. Zhang, S.Y. Chen, X. Zeng, F. Xu, Z. Chen, S.Y. Yang and Y.Z. CFam: A Chemical Families Database Based on Iterative Selection of Functional Seeds and Seed-Directed Compound Clustering. Nucl. Acids Res. 43 (D1): D558-D565 (2015) (First published online: November 20, 2014).

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