General Information of the Compound
| Compound ID |
CP0903873
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| Compound Name |
N-(4-(4-(2,4-difluorophenoxy)piperidin-1-yl)-2-methylpyrimidin-5-yl)-2-methoxy-6-methylnicotinamide
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| Structure |
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| Formula |
C24H25F2N5O3
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| Molecular Weight |
469.492
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| Canonical SMILES |
COc1nc(C)ccc1C(=O)Nc1cnc(C)nc1N1CCC(Oc2ccc(F)cc2F)CC1
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| InChI |
InChI=1S/C24H25F2N5O3/c1-14-4-6-18(24(28-14)33-3)23(32)30-20-13-27-15(2)29-22(20)31-10-8-17(9-11-31)34-21-7-5-16(25)12-19(21)26/h4-7,12-13,17H,8-11H2,1-3H3,(H,30,32)
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| InChIKey |
VHHJMSXGQWIAMX-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