General Information of the Compound
| Compound ID |
CP0509063
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| Compound Name |
N-[4-(4-butanoyl-5-methylpyrazol-1-yl)phenyl]-1-[2-(dimethylamino)-2-oxoethyl]-5,6-dimethylindole-3-carboxamide
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| Structure |
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| Formula |
C29H33N5O3
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| Molecular Weight |
499.615
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| Canonical SMILES |
CCCC(=O)c1cnn(c1C)-c1ccc(NC(=O)c2cn(CC(=O)N(C)C)c3cc(C)c(C)cc23)cc1
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| InChI |
InChI=1S/C29H33N5O3/c1-7-8-27(35)24-15-30-34(20(24)4)22-11-9-21(10-12-22)31-29(37)25-16-33(17-28(36)32(5)6)26-14-19(3)18(2)13-23(25)26/h9-16H,7-8,17H2,1-6H3,(H,31,37)
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| InChIKey |
VUMJXVLBMLBKSZ-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