General Information of the Compound
| Compound ID |
CP0375263
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| Compound Name |
5-chloro-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-N-[4-[5-methyl-4-(4,4,4-trifluorobutanoyl)pyrazol-1-yl]phenyl]indole-3-carboxamide
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| Structure |
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| Formula |
C30H30ClF3N6O3
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| Molecular Weight |
615.056
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| Canonical SMILES |
CN1CCN(CC1)C(=O)Cn1cc(C(=O)Nc2ccc(cc2)-n2ncc(C(=O)CCC(F)(F)F)c2C)c2cc(Cl)ccc12
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| InChI |
InChI=1S/C30H30ClF3N6O3/c1-19-24(27(41)9-10-30(32,33)34)16-35-40(19)22-6-4-21(5-7-22)36-29(43)25-17-39(26-8-3-20(31)15-23(25)26)18-28(42)38-13-11-37(2)12-14-38/h3-8,15-17H,9-14,18H2,1-2H3,(H,36,43)
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| InChIKey |
VPAGCBLLJMPOTC-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