General Information of the Compound
| Compound ID |
CP0956611
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| Compound Name |
N-(5-cyano-2-(4-(2,4-difluorophenoxy)piperidin-1-yl)phenyl)-2,6-dimethoxynicotinamide
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| Structure |
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| Formula |
C26H24F2N4O4
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| Molecular Weight |
494.498
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| Canonical SMILES |
COc1ccc(C(=O)Nc2cc(C#N)ccc2N2CCC(Oc3ccc(F)cc3F)CC2)c(OC)n1
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| InChI |
InChI=1S/C26H24F2N4O4/c1-34-24-8-5-19(26(31-24)35-2)25(33)30-21-13-16(15-29)3-6-22(21)32-11-9-18(10-12-32)36-23-7-4-17(27)14-20(23)28/h3-8,13-14,18H,9-12H2,1-2H3,(H,30,33)
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| InChIKey |
MPJJPFZURSBTPF-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