CFam Chemical Families Database
BIDD Pharmainformatics Databases
You are searching for "CFAMM00244582" 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 CFAMM00244582
Family CFFID1599 Kappa-type opioid receptor Ligand ICI-204448 Family
Superfamily CFSID1249 Kappa-type opioid receptor Ligand ICI-204448 Superfamily
Class CFCID825 Class 2175
External ID CHEMBL186787 External Source CHEMBL
PubChem CID 49796944 Functional Category Bioactive
Molecule Name 2-[4-[[[(2S)-1-[3-amino-4-(2-fluorophenyl)butanoyl]pyrrolidine-2-carbonyl]amino]methyl]phenoxy]acetic acid;2,2,2-trifluoroacetic acid
IUPAC Name 2-[4-[[[(2S)-1-[3-amino-4-(2-fluorophenyl)butanoyl]pyrrolidine-2-carbonyl]amino]methyl]phenoxy]acetic acid;2,2,2-trifluoroacetic acid
InChi InChI=1S/C24H28FN3O5.C2HF3O2/c25-20-5-2-1-4-17(20)12-18(26)13-22(29)28-11-3-6-21(28)24(32)27-14-16-7-9-19(10-8-16)33-15-23(30)31;3-2(4,5)1(6)7/h1-2,4-5,7-10,18,21H,3,6,11-15,26H2,(H,27,32)(H,30,31);(H,6,7)/t18?,21-;/m0./s1
Formula C26H29F4N3O7 Molecular Weight 571.52
Cross Link CHEMBL186787

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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