General Information of the Compound
| Compound ID |
CP0317675
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| Compound Name |
N-(2-aminophenyl)-4-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzamide
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| Formula |
C24H22N6OS
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| Molecular Weight |
442.548
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| Canonical SMILES |
Nc1ccccc1NC(=O)c1ccc(CSc2nnc(-c3ccncc3)n2CC=C)cc1
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| InChI |
InChI=1S/C24H22N6OS/c1-2-15-30-22(18-11-13-26-14-12-18)28-29-24(30)32-16-17-7-9-19(10-8-17)23(31)27-21-6-4-3-5-20(21)25/h2-14H,1,15-16,25H2,(H,27,31)
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| InChIKey |
FJGMSTGHAUPHKC-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