CFam Chemical Families Database
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You are searching for "CFAMM00419455" 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 CFAMM00419455
Family CFFBM12985 Gastrin/cholecystokinin type B receptor and Cholecystokinin receptor type A ligand 4-[[(1R)-2-[[(2R)-3-(1H-indol-3-yl)-2-methyl-2-[[(1S,3R,4R)-4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl]oxycarbonylamino]propanoyl]amino]-1-phenylethyl]amino]-4-oxobutanoic acid family
Superfamily CFSAD718 Bacterial outer membrane Inhibitor Daptomycin Superfamily
Class CFCAD647 Class 647
External ID ZINC08964471 External Source ZINC
PubChem CID 40890782 Functional Category Natural Product
Molecule Name [(8S,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] 4-[2-(1H-indol-3-yl)ethylamino]-4-oxobutanoate
IUPAC Name [(8S,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] 4-[2-(1H-indol-3-yl)ethylamino]-4-oxobutanoate
Synonyms
InChi InChI=1S/C33H42N2O4/c1-32-16-13-23(36)19-22(32)7-8-25-26-9-10-29(33(26,2)17-14-27(25)32)39-31(38)12-11-30(37)34-18-15-21-20-35-28-6-4-3-5-24(21)28/h3-6,19-20,25-27,29,35H,7-18H2,1-2H3,(H,34,37)/t25-,26+,27+,29+,32+,33+/m1/s1
InChiKey RYUZWKQPBYZZGG-GPGHRHGCSA-N
Formula C33H42N2O4 Molecular Weight 530.70
Cross Link
Structure

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).
 

Last update by

 
2014.08.29
 

 

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Dr. Chen Yuzong

Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


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