General Information of the Compound
| Compound ID |
CP0558057
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| Compound Name |
2-[4-[[4-[1-cyclopropyl-3-(4,4-difluorocyclohexyl)pyrazol-4-yl]oxypyridin-2-yl]amino]pyridin-2-yl]propan-2-ol
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| Structure |
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| Formula |
C25H29F2N5O2
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| Molecular Weight |
469.536
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| Canonical SMILES |
CC(C)(O)c1cc(Nc2cc(Oc3cn(nc3C3CCC(F)(F)CC3)C3CC3)ccn2)ccn1
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| InChI |
InChI=1S/C25H29F2N5O2/c1-24(2,33)21-13-17(7-11-28-21)30-22-14-19(8-12-29-22)34-20-15-32(18-3-4-18)31-23(20)16-5-9-25(26,27)10-6-16/h7-8,11-16,18,33H,3-6,9-10H2,1-2H3,(H,28,29,30)
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| InChIKey |
HUWQWBRMFZNJPK-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