General Information of the Compound
| Compound ID |
CP0517800
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| Compound Name |
1-[(3,4-dimethoxyphenyl)methyl]-5-[2-(4-oxo-4-pyrrolidin-1-ylbutyl)sulfonyl-6-(trifluoromethyl)pyrimidin-4-yl]pyridin-2-one
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| Structure |
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| Formula |
C27H29F3N4O6S
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| Molecular Weight |
594.612
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| Canonical SMILES |
COc1ccc(Cn2cc(ccc2=O)-c2cc(nc(n2)S(=O)(=O)CCCC(=O)N2CCCC2)C(F)(F)F)cc1OC
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| InChI |
InChI=1S/C27H29F3N4O6S/c1-39-21-9-7-18(14-22(21)40-2)16-34-17-19(8-10-25(34)36)20-15-23(27(28,29)30)32-26(31-20)41(37,38)13-5-6-24(35)33-11-3-4-12-33/h7-10,14-15,17H,3-6,11-13,16H2,1-2H3
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| InChIKey |
RTLBVKTXKWCWQH-UHFFFAOYSA-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