General Information of the Compound
| Compound ID |
CP0961736
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| Compound Name |
4-(4-(2,4-difluorophenoxy)piperidin-1-yl-5-(2-methoxy-6-methylnicotinamido)-N,N-dimethylpicolinamide
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| Structure |
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| Formula |
C27H29F2N5O4
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| Molecular Weight |
525.556
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| Canonical SMILES |
COc1nc(C)ccc1C(=O)Nc1cnc(C(=O)N(C)C)cc1N1CCC(Oc2ccc(F)cc2F)CC1
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| InChI |
InChI=1S/C27H29F2N5O4/c1-16-5-7-19(26(31-16)37-4)25(35)32-22-15-30-21(27(36)33(2)3)14-23(22)34-11-9-18(10-12-34)38-24-8-6-17(28)13-20(24)29/h5-8,13-15,18H,9-12H2,1-4H3,(H,32,35)
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| InChIKey |
JWKKCQROOGLTBW-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