General Information of the Compound
| Compound ID |
CP0568959
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| Compound Name |
N-[4-(4-butanoyl-5-methylpyrazol-1-yl)phenyl]-1-[2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-oxoethyl]-5-methylindole-3-carboxamide
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| Structure |
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| Formula |
C34H40N6O3
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| Molecular Weight |
580.733
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| Canonical SMILES |
CCCC(=O)c1cnn(c1C)-c1ccc(NC(=O)c2cn(CC(=O)N3CCN(CC4CC4)CC3)c3ccc(C)cc23)cc1
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| InChI |
InChI=1S/C34H40N6O3/c1-4-5-32(41)29-19-35-40(24(29)3)27-11-9-26(10-12-27)36-34(43)30-21-39(31-13-6-23(2)18-28(30)31)22-33(42)38-16-14-37(15-17-38)20-25-7-8-25/h6,9-13,18-19,21,25H,4-5,7-8,14-17,20,22H2,1-3H3,(H,36,43)
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| InChIKey |
BWXLACRVVOIEGS-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