General Information of the Compound
| Compound ID |
CP0513906
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| Compound Name |
N-[4-chloro-3-(4-chlorophenyl)-5-methyl-2-oxo-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)acetamide
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| Structure |
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| Formula |
C22H24Cl2N4O2
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| Molecular Weight |
447.366
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| Canonical SMILES |
CN1CCN(CC(=O)NC2(C(=O)Nc3ccc(C)c(Cl)c23)c2ccc(Cl)cc2)CC1
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| InChI |
InChI=1S/C22H24Cl2N4O2/c1-14-3-8-17-19(20(14)24)22(21(30)25-17,15-4-6-16(23)7-5-15)26-18(29)13-28-11-9-27(2)10-12-28/h3-8H,9-13H2,1-2H3,(H,25,30)(H,26,29)
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| InChIKey |
GDOYTYFQBPWGIP-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