General Information of the Compound
| Compound ID |
CP0532416
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| Compound Name |
(+/-)-(3R)-5-chloro-1-(2,4-dimethoxyphenylsulfonyl)-3-(2-methoxypyridin-3-yl)-3-(2-phenylpyrrolidin-1-yl)indolin-2-one
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| Structure |
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| Formula |
C32H30ClN3O6S
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| Molecular Weight |
620.127
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| Canonical SMILES |
COc1ccc(c(OC)c1)S(=O)(=O)N1C(=O)[C@@](N2CCCC2c2ccccc2)(c2cc(Cl)ccc12)c1cccnc1OC
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| InChI |
InChI=1S/C32H30ClN3O6S/c1-40-23-14-16-29(28(20-23)41-2)43(38,39)36-27-15-13-22(33)19-25(27)32(31(36)37,24-11-7-17-34-30(24)42-3)35-18-8-12-26(35)21-9-5-4-6-10-21/h4-7,9-11,13-17,19-20,26H,8,12,18H2,1-3H3/t26?,32-/m0/s1
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| InChIKey |
AFZAVVBREFXQLX-AKWYTYQQSA-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