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You are searching for "CFAMM00033899" 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 | CFAMM00033899 |
| Family | CFFAD188 D(2) dopamine receptor Ligand Nemonapride Family |
| Superfamily | CFSAD176 D(2) dopamine receptor Ligand Nemonapride Superfamily |
| Class | CFCAD171 Class 171 |
| External ID | CHEMBL189580 |
External Source | CHEMBL |
| PubChem CID |
11600413 |
Functional Category |
Bioactive |
| Molecule Name |
AGN-PC-00CEX2 |
| IUPAC Name |
2-[4-[[[12-[[1-[2-(4-amino-5-chloro-2-methoxybenzoyl)oxyethyl]piperidin-4-yl]methylamino]-12-oxododecanoyl]amino]methyl]piperidin-1-yl]ethyl 4-amino-5-chloro-2-methoxybenzoate |
| Synonyms |
CHEBI:431349;2-[4-[[[12-[[1-[2-(4-amino-5-chloro-2-methoxybenzoyl)oxyethyl]piperidin-4-yl]methylamino]-12-oxododecanoyl]amino]methyl]piperidin-1-yl]ethyl 4-amino-5-chloro-2-methoxybenzoate |
| InChi |
InChI=1S/C44H66Cl2N6O8/c1-57-39-27-37(47)35(45)25-33(39)43(55)59-23-21-51-17-13-31(14-18-51)29-49-41(53)11-9-7-5-3-4-6-8-10-12-42(54)50-30-32-15-19-52(20-16-32)22-24-60-44(56)34-26-36(46)38(48)28-40(34)58-2/h25-28,31-32H,3-24,29-30,47-48H2,1-2H3,(H,49,53)(H,50,54) |
| InChiKey |
UFSIUHQMQNFZLX-UHFFFAOYSA-N |
| Formula | C44H66Cl2N6O8 |
Molecular Weight | 877.94 |
| Cross Link | CHEMBL189580 |
| 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.
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How to cite our database |
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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 |
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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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