General Information of the Compound
| Compound ID |
CP0514827
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| Compound Name |
N-(2-aminophenyl)-6-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]hexanamide
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| Formula |
C22H26N6OS
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| Molecular Weight |
422.558
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| Canonical SMILES |
Nc1ccccc1NC(=O)CCCCCSc1nnc(-c2ccncc2)n1CC=C
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| InChI |
InChI=1S/C22H26N6OS/c1-2-15-28-21(17-11-13-24-14-12-17)26-27-22(28)30-16-7-3-4-10-20(29)25-19-9-6-5-8-18(19)23/h2,5-6,8-9,11-14H,1,3-4,7,10,15-16,23H2,(H,25,29)
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| InChIKey |
CNCARDFKOBXULC-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