General Information of the Compound
| Compound ID |
CP0231470
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| Compound Name |
4-[[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-3-yl]pyrazol-1-yl]methyl]oxan-4-ol
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| Structure |
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| Formula |
C22H23Cl2FN4O3
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| Molecular Weight |
481.355
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| Canonical SMILES |
CC(Oc1cc(cnc1N)-c1cnn(CC2(O)CCOCC2)c1)c1c(Cl)ccc(F)c1Cl
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| InChI |
InChI=1S/C22H23Cl2FN4O3/c1-13(19-16(23)2-3-17(25)20(19)24)32-18-8-14(9-27-21(18)26)15-10-28-29(11-15)12-22(30)4-6-31-7-5-22/h2-3,8-11,13,30H,4-7,12H2,1H3,(H2,26,27)
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| InChIKey |
VHPWHKHEMDSMHE-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