CFam Chemical Families Database
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You are searching for "CFAMM00443575" in compound.

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CFAM Mol ID CFAMM00443575
Family CFFBM17605 Substance-P receptor ligand (3aR,4R,5S,7aS)-5-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-4-(4-fluorophenyl)-2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindole family
Superfamily CFSBM2480 Substance-P receptor and C-C chemokine receptor type 2 Binder Superfamily
Class CFCAD100 Class 100
External ID CHEMBL490869 External Source CHEMBL
PubChem CID 24993313 Functional Category Bioactive
Molecule Name (3aR,4R,5S,7aS)-5-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-4-(4-fluorophenyl)-N-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboxamide
IUPAC Name (3aR,4R,5S,7aS)-5-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-4-(4-fluorophenyl)-N-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboxamide
Synonyms CHEBI:620101
InChi InChI=1S/C26H27F7N2O2/c1-14(17-9-18(25(28,29)30)11-19(10-17)26(31,32)33)37-22-8-5-16-12-35(24(36)34-2)13-21(16)23(22)15-3-6-20(27)7-4-15/h3-4,6-7,9-11,14,16,21-23H,5,8,12-13H2,1-2H3,(H,34,36)/t14-,16-,21-,22+,23+/m1/s1
Formula C26H27F7N2O2 Molecular Weight 532.49
Cross Link CHEMBL490869

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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