General Information of the Compound
| Compound ID |
CP0572690
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| Compound Name |
5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxypyridin-3-yl)-3-(3-oxo-4-pyridin-3-ylpiperazin-1-yl)indol-2-one
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| Structure |
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| Formula |
C31H28ClN5O7S
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| Molecular Weight |
650.113
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| Canonical SMILES |
COc1ccc(c(OC)c1)S(=O)(=O)N1C(=O)C(N2CCN(C(=O)C2)c2cccnc2)(c2cc(Cl)ccc12)c1cccnc1OC
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| InChI |
InChI=1S/C31H28ClN5O7S/c1-42-22-9-11-27(26(17-22)43-2)45(40,41)37-25-10-8-20(32)16-24(25)31(30(37)39,23-7-5-13-34-29(23)44-3)35-14-15-36(28(38)19-35)21-6-4-12-33-18-21/h4-13,16-18H,14-15,19H2,1-3H3
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| InChIKey |
VYJLAQLXECJYRU-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