General Information of the Compound
| Compound ID |
CP0421049
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| Compound Name |
methyl 2-chloro-6-[[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]oxy]pyridine-4-carboxylate
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| Structure |
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| Formula |
C21H16Cl2N2O5S
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| Molecular Weight |
479.341
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| Canonical SMILES |
COC(=O)c1cc(Cl)nc(Oc2ccc3CCN(c3c2)S(=O)(=O)c2ccc(Cl)cc2)c1
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| InChI |
InChI=1S/C21H16Cl2N2O5S/c1-29-21(26)14-10-19(23)24-20(11-14)30-16-5-2-13-8-9-25(18(13)12-16)31(27,28)17-6-3-15(22)4-7-17/h2-7,10-12H,8-9H2,1H3
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| InChIKey |
NHYIMVKZDSVESN-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