General Information of the Compound
| Compound ID |
CP0961735
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| Compound Name |
4-(4-(2,4-difluorophenoxy)piperidin-1-yl)-5-(2-methoxynicotinamido)-N,N-dimethylpyrimidine-2-carboxamide
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| Structure |
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| Formula |
C25H26F2N6O4
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| Molecular Weight |
512.517
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| Canonical SMILES |
COc1ncccc1C(=O)Nc1cnc(C(=O)N(C)C)nc1N1CCC(Oc2ccc(F)cc2F)CC1
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| InChI |
InChI=1S/C25H26F2N6O4/c1-32(2)25(35)21-29-14-19(30-23(34)17-5-4-10-28-24(17)36-3)22(31-21)33-11-8-16(9-12-33)37-20-7-6-15(26)13-18(20)27/h4-7,10,13-14,16H,8-9,11-12H2,1-3H3,(H,30,34)
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| InChIKey |
LAJVZYBTMHGRQB-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