General Information of the Compound
| Compound ID |
CP0536517
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| Compound Name |
3-[4-cyclopropyl-5-(4-methylpentyl)-1,2,4-triazol-3-yl]-N-(2,4-dimethylphenyl)hexanediamide
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| Structure |
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| Formula |
C25H37N5O2
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| Molecular Weight |
439.604
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| Canonical SMILES |
CC(C)CCCc1nnc(C(CCC(N)=O)CC(=O)Nc2ccc(C)cc2C)n1C1CC1
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| InChI |
InChI=1S/C25H37N5O2/c1-16(2)6-5-7-23-28-29-25(30(23)20-10-11-20)19(9-13-22(26)31)15-24(32)27-21-12-8-17(3)14-18(21)4/h8,12,14,16,19-20H,5-7,9-11,13,15H2,1-4H3,(H2,26,31)(H,27,32)
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| InChIKey |
DJYUUGKGFUWXQC-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