General Information of the Compound
| Compound ID |
CP0556587
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| Compound Name |
N-[4-(4-butanoyl-5-methylpyrazol-1-yl)phenyl]-1-[2-(2-imidazol-1-ylethylamino)-2-oxoethyl]-5-methylindole-3-carboxamide
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| Structure |
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| Formula |
C31H33N7O3
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| Molecular Weight |
551.651
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| Canonical SMILES |
CCCC(=O)c1cnn(c1C)-c1ccc(NC(=O)c2cn(CC(=O)NCCn3ccnc3)c3ccc(C)cc23)cc1
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| InChI |
InChI=1S/C31H33N7O3/c1-4-5-29(39)26-17-34-38(22(26)3)24-9-7-23(8-10-24)35-31(41)27-18-37(28-11-6-21(2)16-25(27)28)19-30(40)33-13-15-36-14-12-32-20-36/h6-12,14,16-18,20H,4-5,13,15,19H2,1-3H3,(H,33,40)(H,35,41)
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| InChIKey |
MDGCKRCPNWUDAA-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