CFam Chemical Families Database
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You are searching for "CFAMM00142150" in compound.

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CFAM Mol ID CFAMM00142150
Family CFFCD196 Endothelin-1 receptor Ligand Atrasentan Family
Superfamily CFSCD179 Endothelin-1 receptor Ligand Atrasentan Superfamily
Class CFCCD141 Class 954
External ID CHEMBL273642 External Source CHEMBL
PubChem CID 44347539 Functional Category Bioactive
Molecule Name (2R,3R,4S)-4-(1,3-benzodioxol-5-yl)-1-[2-[bis(2-methylphenyl)methylamino]-2-oxoethyl]-2-[4-(2-propan-2-yloxyethoxy)phenyl]pyrrolidine-3-carboxylic acid;2,2,2-trifluoroacetic acid
IUPAC Name (2R,3R,4S)-4-(1,3-benzodioxol-5-yl)-1-[2-[bis(2-methylphenyl)methylamino]-2-oxoethyl]-2-[4-(2-propan-2-yloxyethoxy)phenyl]pyrrolidine-3-carboxylic acid;2,2,2-trifluoroacetic acid
Synonyms CHEBI:301327
InChi InChI=1S/C40H44N2O7.C2HF3O2/c1-25(2)46-19-20-47-30-16-13-28(14-17-30)39-37(40(44)45)33(29-15-18-34-35(21-29)49-24-48-34)22-42(39)23-36(43)41-38(31-11-7-5-9-26(31)3)32-12-8-6-10-27(32)4;3-2(4,5)1(6)7/h5-18,21,25,33,37-39H,19-20,22-24H2,1-4H3,(H,41,43)(H,44,45);(H,6,7)/t33-,37-,39+;/m1./s1
Formula C40H44N2O7.C2HF3O2 Molecular Weight 778.81
Cross Link CHEMBL273642

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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