CFam Chemical Families Database
BIDD Pharmainformatics Databases
You are searching for "CFAMM00039643" in compound.

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CFAM Mol ID CFAMM00039643
Family CFFAD224 Oxytocin receptor Ligand Oxytocin Family
Superfamily CFSAD18 Oxytocin receptor and Vasopressin V2 receptor Binder Superfamily
Class CFCAD18 Class 18
External ID CHEMBL112055 External Source CHEMBL
PubChem CID 22875501 Functional Category Bioactive
Molecule Name 3-[[(2S)-1-[(2S)-2-[[(2S)-2-acetamido-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylbutanoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]-4-oxobutanoic acid
IUPAC Name 3-[[(2S)-1-[(2S)-2-[[(2S)-2-acetamido-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylbutanoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]-4-oxobutanoic acid
Synonyms CHEBI:287428
InChi InChI=1S/C25H34N4O9/c1-13(2)22(28-23(36)19(26-14(3)31)8-15-4-6-17(32)7-5-15)25(38)29-11-18(33)10-20(29)24(37)27-16(12-30)9-21(34)35/h4-7,12-13,16,18-20,22,32-33H,8-11H2,1-3H3,(H,26,31)(H,27,37)(H,28,36)(H,34,35)/t16?,18?,19-,20-,22-/m0/s1
Formula C25H34N4O9 Molecular Weight 534.56
Cross Link CHEMBL112055

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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National University of Singapore, Singapore

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