General Information of the Compound
| Compound ID |
CP0568962
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| Compound Name |
N-[4-(4-butanoyl-5-methylpyrazol-1-yl)-2-carbamoylphenyl]-5-chloro-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indole-3-carboxamide
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| Structure |
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| Formula |
C31H34ClN7O4
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| Molecular Weight |
604.111
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| Canonical SMILES |
CCCC(=O)c1cnn(c1C)-c1ccc(NC(=O)c2cn(CC(=O)N3CCN(C)CC3)c3ccc(Cl)cc23)c(c1)C(N)=O
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| InChI |
InChI=1S/C31H34ClN7O4/c1-4-5-28(40)24-16-34-39(19(24)2)21-7-8-26(23(15-21)30(33)42)35-31(43)25-17-38(27-9-6-20(32)14-22(25)27)18-29(41)37-12-10-36(3)11-13-37/h6-9,14-17H,4-5,10-13,18H2,1-3H3,(H2,33,42)(H,35,43)
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| InChIKey |
NGVGPDQUAMGXTG-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