CFam Chemical Families Database
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You are searching for "CFAMM00446728" in compound.

Total 1 results found.

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 CFAMM00446728
Family CFFBM18327 Muscarinic acetylcholine receptor M3 and Muscarinic acetylcholine receptor M2 ligand propan-2-yl 5-[[(2S)-3-(4-hydroxyphenyl)-1-[[(3S)-1-[(4-hydroxyphenyl)methyl]-1-methylpiperidin-1-ium-3-yl]amino]-1-oxopropan-2-yl]carbamoylamino]thiophene-2-carboxylate;iodide family
Superfamily CFSBM5283 Alpha-1D adrenergic receptor and Alpha-1A adrenergic receptor Binder Superfamily 5
Class CFCID208 Class 1558
External ID CHEMBL553448 External Source CHEMBL
PubChem CID 45266409 Functional Category Bioactive
Molecule Name cyclohexyl 5-[[(2S)-3-(4-hydroxyphenyl)-1-[[(3S)-1-[(4-hydroxyphenyl)methyl]-1-methylpiperidin-1-ium-3-yl]amino]-1-oxopropan-2-yl]carbamoylamino]thiophene-2-carboxylate;iodide
IUPAC Name cyclohexyl 5-[[(2S)-3-(4-hydroxyphenyl)-1-[[(3S)-1-[(4-hydroxyphenyl)methyl]-1-methylpiperidin-1-ium-3-yl]amino]-1-oxopropan-2-yl]carbamoylamino]thiophene-2-carboxylate;iodide
Synonyms
InChi InChI=1S/C34H42N4O6S.HI/c1-38(21-24-11-15-27(40)16-12-24)19-5-6-25(22-38)35-32(41)29(20-23-9-13-26(39)14-10-23)36-34(43)37-31-18-17-30(45-31)33(42)44-28-7-3-2-4-8-28;/h9-18,25,28-29H,2-8,19-22H2,1H3,(H4-,35,36,37,39,40,41,42,43);1H/t25-,29-,38?;/m0./s1
InChiKey VQDKKGYTYDGCOQ-SDOHQYEBSA-N
Formula C34H43IN4O6S Molecular Weight 762.70
Cross Link CHEMBL553448
Structure

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).
 

Last update by

 
2014.08.29
 

 

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Dr. Chen Yuzong

Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


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