General Information of the Compound
| Compound ID |
CP0069656
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| Compound Name |
N-[2,4-difluoro-3-[2-(2-hydroxyethylamino)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-6-yl]phenyl]propane-1-sulfonamide
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| Structure |
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| Formula |
C19H21F2N5O4S
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| Molecular Weight |
453.471
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| Canonical SMILES |
CCCS(=O)(=O)Nc1ccc(F)c(c1F)-c1cc2cnc(NCCO)nc2n(C)c1=O
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| InChI |
InChI=1S/C19H21F2N5O4S/c1-3-8-31(29,30)25-14-5-4-13(20)15(16(14)21)12-9-11-10-23-19(22-6-7-27)24-17(11)26(2)18(12)28/h4-5,9-10,25,27H,3,6-8H2,1-2H3,(H,22,23,24)
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| InChIKey |
NCFRQFILHAYXLY-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