General Information of the Compound
| Compound ID |
CP0532417
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| Compound Name |
(+/-)-(3R)-5-chloro-1-(2,4-dimethoxyphenylsulfonyl)-3-(2-methoxypyridin-3-yl)-3-(2-(thiophen-2-yl)pyrrolidin-1-yl)indolin-2-one
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| Structure |
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| Formula |
C30H28ClN3O6S2
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| Molecular Weight |
626.156
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| Canonical SMILES |
COc1ccc(c(OC)c1)S(=O)(=O)N1C(=O)[C@@](N2CCCC2c2cccs2)(c2cc(Cl)ccc12)c1cccnc1OC
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| InChI |
InChI=1S/C30H28ClN3O6S2/c1-38-20-11-13-27(25(18-20)39-2)42(36,37)34-23-12-10-19(31)17-22(23)30(29(34)35,21-7-4-14-32-28(21)40-3)33-15-5-8-24(33)26-9-6-16-41-26/h4,6-7,9-14,16-18,24H,5,8,15H2,1-3H3/t24?,30-/m0/s1
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| InChIKey |
OGXSNUZDTWPNAU-FZNWDQQTSA-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