General Information of the Compound
| Compound ID |
CP0451204
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| Compound Name |
3-[4-cyclopropyl-5-(4-methylpentyl)-1,2,4-triazol-3-yl]-N-(2,4-dimethylphenyl)-N'-methylhexanediamide
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| Structure |
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| Formula |
C26H39N5O2
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| Molecular Weight |
453.631
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| Canonical SMILES |
CNC(=O)CCC(CC(=O)Nc1ccc(C)cc1C)c1nnc(CCCC(C)C)n1C1CC1
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| InChI |
InChI=1S/C26H39N5O2/c1-17(2)7-6-8-23-29-30-26(31(23)21-11-12-21)20(10-14-24(32)27-5)16-25(33)28-22-13-9-18(3)15-19(22)4/h9,13,15,17,20-21H,6-8,10-12,14,16H2,1-5H3,(H,27,32)(H,28,33)
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| InChIKey |
VZZSMDAIIRSGOW-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