CFam Chemical Families Database
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You are searching for "CFAMM00565966" in compound.

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CFAM Mol ID CFAMM00565966
Family CFFNP2365 ylspiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-2',4,6-trione NP (3s,3a'r,8a's,8b's)-2'-(2,3-dimethylphenyl)-6',7',8',8a'-tetrahydro-1'h-spiro[indoline-3,4'-pyrrolo[3,4-a]pyrrolizine]-1',2,3'(2'h,3a'h,8b'h)-trione Family
Superfamily CFSBM11460 Nuclear receptor ROR-gamma and Neuropeptide S receptor ligand CHEMBL1301495 Superfamily
Class CFCBM2995 Class 6045
External ID ZINC20611457 External Source ZINC
PubChem CID 40824587 Functional Category Natural Product
Molecule Name (1S,3S,3aR,6aS)-1-benzyl-5-cycloheptylspiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-2',4,6-trione
IUPAC Name (1S,3S,3aR,6aS)-1-benzyl-5-cycloheptylspiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-2',4,6-trione
Synonyms
InChi InChI=1S/C27H29N3O3/c31-24-22-21(16-17-10-4-3-5-11-17)29-27(19-14-8-9-15-20(19)28-26(27)33)23(22)25(32)30(24)18-12-6-1-2-7-13-18/h3-5,8-11,14-15,18,21-23,29H,1-2,6-7,12-13,16H2,(H,28,33)/t21-,22+,23-,27+/m0/s1
InChiKey RYAXDTKARVYBRK-NBCVKUGOSA-N
Formula C27H29N3O3 Molecular Weight 443.54
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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