General Information of the Compound
| Compound ID |
CP0960270
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| Compound Name |
N-(2-cyano-4-(4-(2,4-difluorophenoxy)piperidin-1-yl)pyrimidin-5-yl)-2-methoxy-6-methylnicotinamide
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| Structure |
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| Formula |
C24H22F2N6O3
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| Molecular Weight |
480.475
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| Canonical SMILES |
COc1nc(C)ccc1C(=O)Nc1cnc(C#N)nc1N1CCC(Oc2ccc(F)cc2F)CC1
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| InChI |
InChI=1S/C24H22F2N6O3/c1-14-3-5-17(24(29-14)34-2)23(33)30-19-13-28-21(12-27)31-22(19)32-9-7-16(8-10-32)35-20-6-4-15(25)11-18(20)26/h3-6,11,13,16H,7-10H2,1-2H3,(H,30,33)
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| InChIKey |
KZZICIXMTYVSRQ-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