General Information of the Compound
| Compound ID |
CP0449447
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| Compound Name |
N-[[1-[4-fluoro-3-(trifluoromethyl)phenyl]pyrazol-4-yl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide
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| Structure |
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| Formula |
C23H19F4N5O
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| Molecular Weight |
457.431
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| Canonical SMILES |
Fc1ccc(cc1C(F)(F)F)-n1cc(CNC(=O)CCCc2ccc3cccnc3n2)cn1
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| InChI |
InChI=1S/C23H19F4N5O/c24-20-9-8-18(11-19(20)23(25,26)27)32-14-15(13-30-32)12-29-21(33)5-1-4-17-7-6-16-3-2-10-28-22(16)31-17/h2-3,6-11,13-14H,1,4-5,12H2,(H,29,33)
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| InChIKey |
CLIUZAZSLUXJIA-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