General Information of the Compound
| Compound ID |
CP0571035
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| Compound Name |
N-(2-aminophenyl)-4-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzamide
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| Formula |
C27H22N6OS
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| Molecular Weight |
478.581
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| Canonical SMILES |
Nc1ccccc1NC(=O)c1ccc(CSc2nnc(-c3ccncc3)n2-c2ccccc2)cc1
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| InChI |
InChI=1S/C27H22N6OS/c28-23-8-4-5-9-24(23)30-26(34)21-12-10-19(11-13-21)18-35-27-32-31-25(20-14-16-29-17-15-20)33(27)22-6-2-1-3-7-22/h1-17H,18,28H2,(H,30,34)
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| InChIKey |
KNMOJBOUNVLNMG-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