General Information of the Compound
| Compound ID |
CP0558739
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| Compound Name |
1-(3-methoxyphenyl)-N-[2,3,6-trifluoro-4-[2-[[(3S,5S)-5-fluoropiperidin-3-yl]amino]-7-oxo-8-propan-2-ylpyrido[2,3-d]pyrimidin-6-yl]phenyl]methanesulfonamide
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| Structure |
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| Formula |
C29H30F4N6O4S
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| Molecular Weight |
634.656
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| Canonical SMILES |
COc1cccc(CS(=O)(=O)Nc2c(F)cc(c(F)c2F)-c2cc3cnc(N[C@@H]4CNC[C@@H](F)C4)nc3n(C(C)C)c2=O)c1
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| InChI |
InChI=1S/C29H30F4N6O4S/c1-15(2)39-27-17(11-35-29(37-27)36-19-9-18(30)12-34-13-19)8-22(28(39)40)21-10-23(31)26(25(33)24(21)32)38-44(41,42)14-16-5-4-6-20(7-16)43-3/h4-8,10-11,15,18-19,34,38H,9,12-14H2,1-3H3,(H,35,36,37)/t18-,19-/m0/s1
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| InChIKey |
IQSDAEFMBLKJHB-OALUTQOASA-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