General Information of the Compound
| Compound ID |
CP0411989
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| Compound Name |
5-chloro-3-(2-methoxyphenyl)-1-(4-methoxyphenyl)sulfonyl-3-(4-pyridin-3-ylpiperazin-1-yl)indol-2-one
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| Structure |
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| Formula |
C31H29ClN4O5S
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| Molecular Weight |
605.116
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| Canonical SMILES |
COc1ccc(cc1)S(=O)(=O)N1C(=O)C(N2CCN(CC2)c2cccnc2)(c2cc(Cl)ccc12)c1ccccc1OC
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| InChI |
InChI=1S/C31H29ClN4O5S/c1-40-24-10-12-25(13-11-24)42(38,39)36-28-14-9-22(32)20-27(28)31(30(36)37,26-7-3-4-8-29(26)41-2)35-18-16-34(17-19-35)23-6-5-15-33-21-23/h3-15,20-21H,16-19H2,1-2H3
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| InChIKey |
VQSOLSKXNWIHSL-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