General Information of the Compound
| Compound ID |
CP0556592
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| Compound Name |
N-[4-(4-butanoyl-5-methylpyrazol-1-yl)piperidin-1-yl]-5-chloro-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indole-3-carboxamide
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| Structure |
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| Formula |
C29H38ClN7O3
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| Molecular Weight |
568.122
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| Canonical SMILES |
CCCC(=O)c1cnn(C2CCN(CC2)NC(=O)c2cn(CC(=O)N3CCN(C)CC3)c3ccc(Cl)cc23)c1C
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| InChI |
InChI=1S/C29H38ClN7O3/c1-4-5-27(38)24-17-31-37(20(24)2)22-8-10-36(11-9-22)32-29(40)25-18-35(26-7-6-21(30)16-23(25)26)19-28(39)34-14-12-33(3)13-15-34/h6-7,16-18,22H,4-5,8-15,19H2,1-3H3,(H,32,40)
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| InChIKey |
CYMPIFSEGHZYOW-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