General Information of the Compound
| Compound ID |
CP0381392
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| Compound Name |
4-(1,8-naphthyridin-2-yl)-N-[1-[4-[3-(trifluoromethyl)phenyl]phenyl]ethyl]butanamide
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| Structure |
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| Formula |
C27H24F3N3O
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| Molecular Weight |
463.503
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| Canonical SMILES |
CC(NC(=O)CCCc1ccc2cccnc2n1)c1ccc(cc1)-c1cccc(c1)C(F)(F)F
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| InChI |
InChI=1S/C27H24F3N3O/c1-18(19-10-12-20(13-11-19)22-5-2-7-23(17-22)27(28,29)30)32-25(34)9-3-8-24-15-14-21-6-4-16-31-26(21)33-24/h2,4-7,10-18H,3,8-9H2,1H3,(H,32,34)
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| InChIKey |
AYBBJNZILBUREY-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