General Information of the Compound
| Compound ID |
CP0452233
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| Compound Name |
N-[6-chloro-3-(4-methoxyphenyl)-5-methyl-2-oxo-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)acetamide
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| Structure |
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| Formula |
C23H27ClN4O3
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| Molecular Weight |
442.947
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| Canonical SMILES |
COc1ccc(cc1)C1(NC(=O)CN2CCN(C)CC2)C(=O)Nc2cc(Cl)c(C)cc12
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| InChI |
InChI=1S/C23H27ClN4O3/c1-15-12-18-20(13-19(15)24)25-22(30)23(18,16-4-6-17(31-3)7-5-16)26-21(29)14-28-10-8-27(2)9-11-28/h4-7,12-13H,8-11,14H2,1-3H3,(H,25,30)(H,26,29)
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| InChIKey |
AWHFSCLBUGXRCU-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