CFam Chemical Families Database
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You are searching for "CFAMM00035110" in compound.

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CFAM Mol ID CFAMM00035110
Family CFFAD192 D(1A) dopamine receptor ligand ergot alkaloid Methylergonovine Family
Superfamily CFSAD178 dopamine receptor ligand ergot alkaloid Methylergonovine Cabergoline Superfamily
Class CFCAD173 Class 173
External ID ZINC35485292 External Source ZINC
PubChem CID 16404601 Functional Category Natural Product
Molecule Name (S)-N-((S)-1-((3,5-dimethylphenyl)amino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide hydrochloride
IUPAC Name (3S)-N-[(2S)-1-(3,5-dimethylanilino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Synonyms STOCK1N-62025;HMS2268J05;ZINC35485292;MCULE-6787626362;SMR000651951;AB00864472-06
InChi InChI=1S/C29H30N4O2/c1-18-11-19(2)13-23(12-18)32-29(35)27(15-22-17-30-25-10-6-5-9-24(22)25)33-28(34)26-14-20-7-3-4-8-21(20)16-31-26/h3-13,17,26-27,30-31H,14-16H2,1-2H3,(H,32,35)(H,33,34)/t26-,27-/m0/s1
Formula C29H30N4O2 Molecular Weight 466.57
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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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