General Information of the Compound
| Compound ID |
CP0405347
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| Compound Name |
5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxypyridin-3-yl)-3-(3-oxopiperazin-1-yl)indol-2-one
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| Structure |
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| Formula |
C26H25ClN4O7S
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| Molecular Weight |
573.027
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| Canonical SMILES |
COc1ccc(c(OC)c1)S(=O)(=O)N1C(=O)C(N2CCNC(=O)C2)(c2cc(Cl)ccc12)c1cccnc1OC
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| InChI |
InChI=1S/C26H25ClN4O7S/c1-36-17-7-9-22(21(14-17)37-2)39(34,35)31-20-8-6-16(27)13-19(20)26(25(31)33,30-12-11-28-23(32)15-30)18-5-4-10-29-24(18)38-3/h4-10,13-14H,11-12,15H2,1-3H3,(H,28,32)
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| InChIKey |
JZWQJUCHXCRSSB-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