General Information of the Compound
| Compound ID |
CP0390758
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| Compound Name |
(R)-5-chloro-1-(4-methoxyphenylsulfonyl)-3-(2-methoxypyridin-3-yl)-3-((S)-2-(oxazol-2-yl)pyrrolidin-1-yl)indolin-2-one
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| Structure |
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| Formula |
C28H25ClN4O6S
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| Molecular Weight |
581.05
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| Canonical SMILES |
COc1ccc(cc1)S(=O)(=O)N1C(=O)[C@@](N2CCC[C@H]2c2ncco2)(c2cc(Cl)ccc12)c1cccnc1OC
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| InChI |
InChI=1S/C28H25ClN4O6S/c1-37-19-8-10-20(11-9-19)40(35,36)33-23-12-7-18(29)17-22(23)28(27(33)34,21-5-3-13-30-25(21)38-2)32-15-4-6-24(32)26-31-14-16-39-26/h3,5,7-14,16-17,24H,4,6,15H2,1-2H3/t24-,28-/m0/s1
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| InChIKey |
NCSCKPXPEIUAQN-CUBQBAPOSA-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