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You are searching for "CFAMM00320111" 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 | CFAMM00320111 |
| Family | CFFBM1153 Thymidylate synthase inhibitor (2R)-2-[[(4S)-4-carboxy-4-[[4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzoyl]amino]butanoyl]amino]pentanedioic acid family |
| Superfamily | CFSBM78 Thymidylate synthase Binder Superfamily |
| Class | CFCCD440 Class 1253 |
| External ID | CHEMBL6325 |
External Source | CHEMBL |
| PubChem CID |
10005417 |
Functional Category |
Bioactive |
| Molecule Name |
4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]-N-[(3-nitrophenyl)methyl]benzamide |
| IUPAC Name |
4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]-N-[(3-nitrophenyl)methyl]benzamide |
| Synonyms |
CHEBI:100354 |
| InChi |
InChI=1S/C27H23N5O4/c1-3-13-31(17-20-7-12-25-24(15-20)27(34)30-18(2)29-25)22-10-8-21(9-11-22)26(33)28-16-19-5-4-6-23(14-19)32(35)36/h1,4-12,14-15H,13,16-17H2,2H3,(H,28,33)(H,29,30,34) |
| InChiKey |
KFCWTQZXACGAEC-UHFFFAOYSA-N |
| Formula | C27H23N5O4 |
Molecular Weight | 481.50 |
| Cross Link | CHEMBL6325 |
| 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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Deputy
Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore
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