General Information of the Compound
| Compound ID |
CP0572691
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| Compound Name |
5-chloro-3-(2-methoxypyridin-3-yl)-3-(4-pyridin-3-ylpiperazin-1-yl)-1-quinolin-8-ylsulfonylindol-2-one
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| Structure |
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| Formula |
C32H27ClN6O4S
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| Molecular Weight |
627.126
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| Canonical SMILES |
COc1ncccc1C1(N2CCN(CC2)c2cccnc2)C(=O)N(c2ccc(Cl)cc12)S(=O)(=O)c1cccc2cccnc12
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| InChI |
InChI=1S/C32H27ClN6O4S/c1-43-30-25(9-5-15-36-30)32(38-18-16-37(17-19-38)24-8-4-13-34-21-24)26-20-23(33)11-12-27(26)39(31(32)40)44(41,42)28-10-2-6-22-7-3-14-35-29(22)28/h2-15,20-21H,16-19H2,1H3
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| InChIKey |
VDTJCIRWCRGMPT-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