General Information of the Compound
| Compound ID |
CP0553472
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| Compound Name |
N-[4-(4-butanoyl-5-methylpyrazol-1-yl)phenyl]-1-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-5-methylindole-3-carboxamide
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| Structure |
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| Formula |
C32H38N6O3
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| Molecular Weight |
554.695
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| Canonical SMILES |
CCCC(=O)c1cnn(c1C)-c1ccc(NC(=O)c2cn(CC(=O)N3CCN(CC)CC3)c3ccc(C)cc23)cc1
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| InChI |
InChI=1S/C32H38N6O3/c1-5-7-30(39)27-19-33-38(23(27)4)25-11-9-24(10-12-25)34-32(41)28-20-37(29-13-8-22(3)18-26(28)29)21-31(40)36-16-14-35(6-2)15-17-36/h8-13,18-20H,5-7,14-17,21H2,1-4H3,(H,34,41)
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| InChIKey |
QHXPIGIAJMEOJE-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