General Information of the Compound
| Compound ID |
CP0528753
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| Compound Name |
(+/-)-(3R)-5-chloro-1-(2,4-dimethoxyphenylsulfonyl)-3-(2-methoxypyridin-3-yl)-3-(2-(pyridin-2-yl)pyrrolidin-1-yl)indolin-2-one
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| Structure |
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| Formula |
C31H29ClN4O6S
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| Molecular Weight |
621.115
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| Canonical SMILES |
COc1ccc(c(OC)c1)S(=O)(=O)N1C(=O)[C@@](N2CCCC2c2ccccn2)(c2cc(Cl)ccc12)c1cccnc1OC
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| InChI |
InChI=1S/C31H29ClN4O6S/c1-40-21-12-14-28(27(19-21)41-2)43(38,39)36-25-13-11-20(32)18-23(25)31(30(36)37,22-8-6-16-34-29(22)42-3)35-17-7-10-26(35)24-9-4-5-15-33-24/h4-6,8-9,11-16,18-19,26H,7,10,17H2,1-3H3/t26?,31-/m0/s1
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| InChIKey |
OWRASIZNHNCSKC-VXPBITRUSA-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