CFam Chemical Families Database
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You are searching for "CFAMM00189386" in compound.

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CFAM Mol ID CFAMM00189386
Family CFFID371 Plasmepsin-2 Inhibitor KNI-727 Family
Superfamily CFSID301 Plasmepsin-2 Inhibitor KNI-727 Superfamily
Class CFCAD590 Class 590
External ID CHEMBL432538 External Source CHEMBL
PubChem CID 44306860 Functional Category Bioactive
Molecule Name (2S)-2-[[(2S,4S)-1-[(E,4R)-4-amino-5-sulfanylpent-2-enyl]-4-(4-phenylphenoxy)pyrrolidine-2-carbonyl]amino]-4-methylsulfanylbutanoic acid;2,2,2-trifluoroacetic acid
IUPAC Name (2S)-2-[[(2S,4S)-1-[(E,4R)-4-amino-5-sulfanylpent-2-enyl]-4-(4-phenylphenoxy)pyrrolidine-2-carbonyl]amino]-4-methylsulfanylbutanoic acid;2,2,2-trifluoroacetic acid
Synonyms CHEBI:203253
InChi InChI=1S/C27H35N3O4S2.2C2HF3O2/c1-36-15-13-24(27(32)33)29-26(31)25-16-23(17-30(25)14-5-8-21(28)18-35)34-22-11-9-20(10-12-22)19-6-3-2-4-7-19;2*3-2(4,5)1(6)7/h2-12,21,23-25,35H,13-18,28H2,1H3,(H,29,31)(H,32,33);2*(H,6,7)/b8-5+;;/t21-,23+,24+,25+;;/m1../s1
Formula C27H35N3O4S2.2C2HF3O2 Molecular Weight 757.76
Cross Link CHEMBL432538

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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