General Information of the Compound
| Compound ID |
CP0129819
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| Compound Name |
3-[cyclopropanecarbonyl(ethyl)amino]-5-[6-[4-(cyclopropylmethyl)piperazin-1-yl]-2-methylpyridin-3-yl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylbenzamide
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| Structure |
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| Formula |
C36H46N6O3
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| Molecular Weight |
610.803
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| Canonical SMILES |
CCN(C(=O)C1CC1)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)-c1ccc(nc1C)N1CCN(CC2CC2)CC1
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| InChI |
InChI=1S/C36H46N6O3/c1-6-42(36(45)27-9-10-27)32-19-28(18-30(24(32)4)34(43)37-20-31-22(2)17-23(3)38-35(31)44)29-11-12-33(39-25(29)5)41-15-13-40(14-16-41)21-26-7-8-26/h11-12,17-19,26-27H,6-10,13-16,20-21H2,1-5H3,(H,37,43)(H,38,44)
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| InChIKey |
JQCQAOKPLACZCY-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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Table of Molecular Bioactivities Related to the Compound
Cell Viability or Cytotoxicity Assay