General Information of the Compound
| Compound ID |
CP0499479
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| Compound Name |
N-[[5-[4-fluoro-3-(trifluoromethyl)phenyl]pyrimidin-2-yl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide
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| Structure |
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| Formula |
C24H19F4N5O
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| Molecular Weight |
469.442
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| Canonical SMILES |
Fc1ccc(cc1C(F)(F)F)-c1cnc(CNC(=O)CCCc2ccc3cccnc3n2)nc1
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| InChI |
InChI=1S/C24H19F4N5O/c25-20-9-7-16(11-19(20)24(26,27)28)17-12-30-21(31-13-17)14-32-22(34)5-1-4-18-8-6-15-3-2-10-29-23(15)33-18/h2-3,6-13H,1,4-5,14H2,(H,32,34)
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| InChIKey |
PDSXXHYTOAMMPD-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