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You are searching for "CFAMM00330151" 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 | CFAMM00330151 |
| Family | CFFBM2071 Thymidylate synthase inhibitor AC1LAB82 family |
| Superfamily | CFSBM78 Thymidylate synthase Binder Superfamily |
| Class | CFCCD440 Class 1253 |
| External ID | CHEMBL127954 |
External Source | CHEMBL |
| PubChem CID |
10651422 |
Functional Category |
Bioactive |
| Molecule Name |
(2S)-2-[[4-[(2,7-dimethyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]-2-fluorobenzoyl]amino]-7-(methanesulfonamido)-7-oxoheptanoic acid |
| IUPAC Name |
(2S)-2-[[4-[(2,7-dimethyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]-2-fluorobenzoyl]amino]-7-(methanesulfonamido)-7-oxoheptanoic acid |
| Synonyms |
CHEBI:307426 |
| InChi |
InChI=1S/C29H32FN5O7S/c1-5-12-35(16-19-14-22-25(13-17(19)2)31-18(3)32-28(22)38)20-10-11-21(23(30)15-20)27(37)33-24(29(39)40)8-6-7-9-26(36)34-43(4,41)42/h1,10-11,13-15,24H,6-9,12,16H2,2-4H3,(H,33,37)(H,34,36)(H,39,40)(H,31,32,38)/t24-/m0/s1 |
| InChiKey |
CKPMPQXKPIUECO-DEOSSOPVSA-N |
| Formula | C29H32FN5O7S |
Molecular Weight | 613.66 |
| Cross Link | CHEMBL127954 |
| 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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