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You are searching for "CFAMM00033824" 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 | CFAMM00033824 |
Family | CFFAD188 D(2) dopamine receptor Ligand Nemonapride Family |
Superfamily | CFSAD176 D(2) dopamine receptor Ligand Nemonapride Superfamily |
Class | CFCAD171 Class 171 |
External ID | CHEMBL2113291 |
External Source | CHEMBL |
PubChem CID |
17754944 |
Functional Category |
Bioactive |
Molecule Name |
AGN-PC-01LUA2 |
IUPAC Name |
2-[4-[4-[3-[4-[3-[[4-(cyclohexylamino)-4-oxobutyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl]phenyl]propyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoylamino]piperidin-1-yl]ethyl 4-amino-5-chloro-2-methoxybenzoate |
Synonyms |
2-[4-[4-[3-[4-[3-[[4-(cyclohexylamino)-4-oxobutyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl]phenyl]propyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoylamino]piperidin-1-yl]ethyl 4-amino-5-chloro-2-methoxybenzoate |
InChi |
InChI=1S/C51H79ClN6O9/c1-50(2,3)66-48(62)57(29-13-19-45(59)54-39-17-9-8-10-18-39)27-11-15-37-21-23-38(24-22-37)16-12-28-58(49(63)67-51(4,5)6)30-14-20-46(60)55-40-25-31-56(32-26-40)33-34-65-47(61)41-35-42(52)43(53)36-44(41)64-7/h21-24,35-36,39-40H,8-20,25-34,53H2,1-7H3,(H,54,59)(H,55,60) |
InChiKey |
BSRMAEQAJPCJKX-UHFFFAOYSA-N |
Formula | C51H79ClN6O9 |
Molecular Weight | 955.66 |
Cross Link | CHEMBL2113291 |
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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