General Information of the Compound
| Compound ID |
CP0387625
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| Compound Name |
N-[3-[3-[[6-(4-hydroxypiperidin-1-yl)-2-methylpyrimidin-4-yl]amino]-1H-pyrazol-5-yl]phenyl]benzenesulfonamide
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| Structure |
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| Formula |
C25H27N7O3S
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| Molecular Weight |
505.604
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| Canonical SMILES |
Cc1nc(Nc2cc(n[nH]2)-c2cccc(NS(=O)(=O)c3ccccc3)c2)cc(n1)N1CCC(O)CC1
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| InChI |
InChI=1S/C25H27N7O3S/c1-17-26-23(16-25(27-17)32-12-10-20(33)11-13-32)28-24-15-22(29-30-24)18-6-5-7-19(14-18)31-36(34,35)21-8-3-2-4-9-21/h2-9,14-16,20,31,33H,10-13H2,1H3,(H2,26,27,28,29,30)
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| InChIKey |
KFRUZRAQPBNGME-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
Protein ID: PT00980, Aurora kinase A
Protein ID: PT01204, Receptor-type tyrosine-protein kinase FLT3