General Information of the Compound
| Compound ID |
CP0178133
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| Compound Name |
5-(9-Chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-ylcarbamoyl)-pentanoic acid benzyl ester
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| Structure |
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| Formula |
C26H22ClN5O4
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| Molecular Weight |
503.946
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| Canonical SMILES |
Clc1ccc2nc(NC(=O)CCCCC(=O)OCc3ccccc3)n3nc(nc3c2c1)-c1ccco1
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| InChI |
InChI=1S/C26H22ClN5O4/c27-18-12-13-20-19(15-18)25-30-24(21-9-6-14-35-21)31-32(25)26(28-20)29-22(33)10-4-5-11-23(34)36-16-17-7-2-1-3-8-17/h1-3,6-9,12-15H,4-5,10-11,16H2,(H,28,29,33)
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| InChIKey |
ZCSYLQCKHIHALL-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound