CFam Chemical Families Database
BIDD Pharmainformatics Databases
You are searching for "CFAMM00399301" in compound.

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Click on CFAM IDs and names to search or view in CFAM, click on external IDs to view the entity in its source database.

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CFAM Mol ID CFAMM00399301
Family CFFBM10061 NS3 inhibitor Proline-Based Macrocycle 24 family
Superfamily CFSBM5041 Pol polyprotein and NS3 Binder Superfamily
Class CFCAD590 Class 590
External ID CHEMBL427022 External Source CHEMBL
PubChem CID 11571312 Functional Category Bioactive
Molecule Name Proline-Based Macrocycle 42
InChi InChI=1S/C41H54N4O9/c1-4-12-32(37(48)39(50)42-24-35(47)53-26-27-13-7-5-8-14-27)43-38(49)33-23-31-25-45(33)40(51)36(29-16-9-6-10-17-29)44-34(46)22-28-15-11-18-30(21-28)52-20-19-41(2,3)54-31/h5,7-8,11,13-15,18,21,29,31-33,36H,4,6,9-10,12,16-17,19-20,22-26H2,1-3H3,(H,42,50)(H,43,49)(H,44,46)/t31-,32?,33+,36+/m1/s1
Formula C41H54N4O9 Molecular Weight 746.89
Cross Link CHEMBL427022

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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