General Information of the Compound
| Compound ID |
CP0138636
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| Compound Name |
N-(2-aminophenyl)-6-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]hexanamide
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| Formula |
C20H24N6OS
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| Molecular Weight |
396.52
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| Canonical SMILES |
Cn1c(SCCCCCC(=O)Nc2ccccc2N)nnc1-c1ccncc1
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| InChI |
InChI=1S/C20H24N6OS/c1-26-19(15-10-12-22-13-11-15)24-25-20(26)28-14-6-2-3-9-18(27)23-17-8-5-4-7-16(17)21/h4-5,7-8,10-13H,2-3,6,9,14,21H2,1H3,(H,23,27)
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| InChIKey |
ZTUDEIWRPCQIEU-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