General Information of the Compound
| Compound ID |
CP0375264
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| Compound Name |
N-[5-(4-butanoyl-5-methylpyrazol-1-yl)pyrazin-2-yl]-5-chloro-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indole-3-carboxamide
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| Structure |
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| Formula |
C28H31ClN8O3
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| Molecular Weight |
563.062
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| Canonical SMILES |
CCCC(=O)c1cnn(c1C)-c1cnc(NC(=O)c2cn(CC(=O)N3CCN(C)CC3)c3ccc(Cl)cc23)cn1
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| InChI |
InChI=1S/C28H31ClN8O3/c1-4-5-24(38)21-13-32-37(18(21)2)26-15-30-25(14-31-26)33-28(40)22-16-36(23-7-6-19(29)12-20(22)23)17-27(39)35-10-8-34(3)9-11-35/h6-7,12-16H,4-5,8-11,17H2,1-3H3,(H,30,33,40)
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| InChIKey |
CPGFYWIDGQNGRU-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