General Information of the Compound
| Compound ID |
CP0478202
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| Compound Name |
(+/-)-(3R)-5-chloro-1-(2,4-dimethoxyphenylsulfonyl)-3-(2-methoxypyridin-3-yl)-3-(2-(oxazol-2-yl)pyrrolidin-1-yl)indolin-2-one
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| Structure |
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| Formula |
C29H27ClN4O7S
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| Molecular Weight |
611.076
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| Canonical SMILES |
COc1ccc(c(OC)c1)S(=O)(=O)N1C(=O)[C@@](N2CCCC2c2ncco2)(c2cc(Cl)ccc12)c1cccnc1OC
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| InChI |
InChI=1S/C29H27ClN4O7S/c1-38-19-9-11-25(24(17-19)39-2)42(36,37)34-22-10-8-18(30)16-21(22)29(28(34)35,20-6-4-12-31-26(20)40-3)33-14-5-7-23(33)27-32-13-15-41-27/h4,6,8-13,15-17,23H,5,7,14H2,1-3H3/t23?,29-/m0/s1
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| InChIKey |
ASOTVOFICYBESK-IZCXSWDTSA-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