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You are searching for "CFAMM00033701" 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 | CFAMM00033701 |
Family | CFFAD188 D(2) dopamine receptor Ligand Nemonapride Family |
Superfamily | CFSAD176 D(2) dopamine receptor Ligand Nemonapride Superfamily |
Class | CFCAD171 Class 171 |
External ID | CHEMBL199150 |
External Source | CHEMBL |
PubChem CID |
44404962 |
Functional Category |
Bioactive |
Molecule Name |
AGN-PC-075XXE |
IUPAC Name |
2-[4-[[12-[[1-[2-(4-amino-5-chloro-2-methoxybenzoyl)oxyethyl]piperidin-4-yl]amino]-12-oxododecanoyl]amino]piperidin-1-yl]ethyl 4-amino-5-chloro-2-hydroxybenzoate |
Synonyms |
CHEBI:431341;2-[4-[[12-[[1-[2-(4-amino-5-chloro-2-methoxybenzoyl)oxyethyl]piperidin-4-yl]amino]-12-oxododecanoyl]amino]piperidin-1-yl]ethyl 4-amino-5-chloro-2-hydroxybenzoate |
InChi |
InChI=1S/C41H60Cl2N6O8/c1-55-37-27-35(45)33(43)25-31(37)41(54)57-23-21-49-18-14-29(15-19-49)47-39(52)11-9-7-5-3-2-4-6-8-10-38(51)46-28-12-16-48(17-13-28)20-22-56-40(53)30-24-32(42)34(44)26-36(30)50/h24-29,50H,2-23,44-45H2,1H3,(H,46,51)(H,47,52) |
InChiKey |
TUIWJMABCCECJM-UHFFFAOYSA-N |
Formula | C41H60Cl2N6O8 |
Molecular Weight | 835.86 |
Cross Link | CHEMBL199150 |
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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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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