General Information of the Compound
| Compound ID |
CP0536518
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| Compound Name |
3-[4-cyclopropyl-5-(4-methylpentyl)-1,2,4-triazol-3-yl]-N-(2,4-dimethylphenyl)-N',N'-dimethylhexanediamide
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| Structure |
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| Formula |
C27H41N5O2
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| Molecular Weight |
467.658
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| Canonical SMILES |
CC(C)CCCc1nnc(C(CCC(=O)N(C)C)CC(=O)Nc2ccc(C)cc2C)n1C1CC1
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| InChI |
InChI=1S/C27H41N5O2/c1-18(2)8-7-9-24-29-30-27(32(24)22-12-13-22)21(11-15-26(34)31(5)6)17-25(33)28-23-14-10-19(3)16-20(23)4/h10,14,16,18,21-22H,7-9,11-13,15,17H2,1-6H3,(H,28,33)
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| InChIKey |
BHLRMSCANHHOCF-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