General Information of the Compound
| Compound ID |
CP0902933
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| Compound Name |
N-(5-cyano-2-(4-(2,4-difluorophenoxy)piperidin-1-yl)-4-fluorophenyl)-2-methoxy-6-methylnicotinamide
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| Structure |
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| Formula |
C26H23F3N4O3
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| Molecular Weight |
496.489
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| Canonical SMILES |
COc1nc(C)ccc1C(=O)Nc1cc(C#N)c(F)cc1N1CCC(Oc2ccc(F)cc2F)CC1
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| InChI |
InChI=1S/C26H23F3N4O3/c1-15-3-5-19(26(31-15)35-2)25(34)32-22-11-16(14-30)20(28)13-23(22)33-9-7-18(8-10-33)36-24-6-4-17(27)12-21(24)29/h3-6,11-13,18H,7-10H2,1-2H3,(H,32,34)
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| InChIKey |
MUNCFDCOBPNWCG-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