General Information of the Compound
| Compound ID |
CP0850483
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| Compound Name |
N-(3-(5-(2-(cyclopropylamino)pyrimidin-4-yl)-2-isopropylthiazol-4-yl)phenyl)-3-fluorobenzenesulfonamide
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| Structure |
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| Formula |
C25H24FN5O2S2
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| Molecular Weight |
509.632
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| Canonical SMILES |
CC(C)c1nc(-c2cccc(NS(=O)(=O)c3cccc(F)c3)c2)c(-c2ccnc(NC3CC3)n2)s1
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| InChI |
InChI=1S/C25H24FN5O2S2/c1-15(2)24-30-22(23(34-24)21-11-12-27-25(29-21)28-18-9-10-18)16-5-3-7-19(13-16)31-35(32,33)20-8-4-6-17(26)14-20/h3-8,11-15,18,31H,9-10H2,1-2H3,(H,27,28,29)
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| InChIKey |
HMOHUMQEXZVTBB-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