|
|
You are searching for "CFAMM00320128" 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 | CFAMM00320128 |
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 | CHEMBL170789 |
External Source | CHEMBL |
PubChem CID |
44381019 |
Functional Category |
Bioactive |
Molecule Name |
(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;2,2,2-trifluoroacetic acid |
IUPAC Name |
(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;2,2,2-trifluoroacetic acid |
Synonyms |
CHEBI:381410 |
InChi |
InChI=1S/C30H31N5O9.C2HF3O2/c1-3-14-35(16-18-4-9-22-21(15-18)28(40)32-17(2)31-22)20-7-5-19(6-8-20)27(39)34-24(30(43)44)10-12-25(36)33-23(29(41)42)11-13-26(37)38;3-2(4,5)1(6)7/h1,4-9,15,23-24H,10-14,16H2,2H3,(H,33,36)(H,34,39)(H,37,38)(H,41,42)(H,43,44)(H,31,32,40);(H,6,7)/t23-,24+;/m1./s1 |
InChiKey |
WNDVTFYGTFPZBO-ITNPDYSASA-N |
Formula | C30H31N5O9.C2HF3O2 |
Molecular Weight | 719.62 |
Cross Link | CHEMBL170789 |
Structure |
|
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).
|
Last update by |
2014.08.29
|
48709 visits since 2014 .........
Dr.
Chen Yuzong
Deputy
Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore
All rights reserved.
|