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You are searching for "CFAMM00442732" 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.
CFAM Mol ID | CFAMM00442732 |
Family | CFFBM17462 Muscarinic acetylcholine receptor M2 and Muscarinic acetylcholine receptor M3 ligand ethyl 4-[[(2S)-1-[[(3S)-1-(1,3-benzodioxol-5-ylmethyl)-1-methylpyrrolidin-1-ium-3-yl]amino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]carbamoylamino]benzoate;iodide family |
Superfamily | CFSID2854 Genome polyprotein Inhibitor Azapeptide Derivative Superfamily |
Class | CFCCD141 Class 954 |
External ID | CHEMBL540398 |
External Source | CHEMBL |
PubChem CID |
45266401 |
Functional Category |
Bioactive |
Molecule Name |
ethyl 4-[[(2S)-1-[[(3S)-1-(1,3-benzodioxol-5-ylmethyl)-1-methylpyrrolidin-1-ium-3-yl]amino]-3-(3,4-dichlorophenyl)-1-oxopropan-2-yl]carbamoylamino]benzoate;iodide |
IUPAC Name |
ethyl 4-[[(2S)-1-[[(3S)-1-(1,3-benzodioxol-5-ylmethyl)-1-methylpyrrolidin-1-ium-3-yl]amino]-3-(3,4-dichlorophenyl)-1-oxopropan-2-yl]carbamoylamino]benzoate;iodide |
Synonyms |
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InChi |
InChI=1S/C32H34Cl2N4O6.HI/c1-3-42-31(40)22-6-8-23(9-7-22)36-32(41)37-27(15-20-4-10-25(33)26(34)14-20)30(39)35-24-12-13-38(2,18-24)17-21-5-11-28-29(16-21)44-19-43-28;/h4-11,14,16,24,27H,3,12-13,15,17-19H2,1-2H3,(H2-,35,36,37,39,40,41);1H/t24-,27-,38?;/m0./s1 |
InChiKey |
NCWPXSLFBGDOQT-NADAZAGSSA-N |
Formula | C32H35Cl2IN4O6 |
Molecular Weight | 769.45 |
Cross Link | CHEMBL540398 |
Structure |
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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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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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