General Information of the Compound
| Compound ID |
CP0509074
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| Compound Name |
N-[4-(4-butanoyl-5-methylpyrazol-1-yl)phenyl]-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-5-(trifluoromethyl)indole-3-carboxamide
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| Structure |
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| Formula |
C31H33F3N6O3
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| Molecular Weight |
594.638
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| Canonical SMILES |
CCCC(=O)c1cnn(c1C)-c1ccc(NC(=O)c2cn(CC(=O)N3CCN(C)CC3)c3ccc(cc23)C(F)(F)F)cc1
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| InChI |
InChI=1S/C31H33F3N6O3/c1-4-5-28(41)25-17-35-40(20(25)2)23-9-7-22(8-10-23)36-30(43)26-18-39(19-29(42)38-14-12-37(3)13-15-38)27-11-6-21(16-24(26)27)31(32,33)34/h6-11,16-18H,4-5,12-15,19H2,1-3H3,(H,36,43)
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| InChIKey |
VHLIJHNUMGWBJU-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