General Information of the Compound
| Compound ID |
CP0413768
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| Compound Name |
3,3,3-trifluoro-N-[[4-[4-fluoro-3-(trifluoromethyl)phenyl]phenyl]methyl]-2-hydroxy-2-[4-(1,8-naphthyridin-2-yl)phenyl]propanamide
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| Structure |
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| Formula |
C31H20F7N3O2
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| Molecular Weight |
599.506
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| Canonical SMILES |
OC(C(=O)NCc1ccc(cc1)-c1ccc(F)c(c1)C(F)(F)F)(c1ccc(cc1)-c1ccc2cccnc2n1)C(F)(F)F
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| InChI |
InChI=1S/C31H20F7N3O2/c32-25-13-9-22(16-24(25)30(33,34)35)19-5-3-18(4-6-19)17-40-28(42)29(43,31(36,37)38)23-11-7-20(8-12-23)26-14-10-21-2-1-15-39-27(21)41-26/h1-16,43H,17H2,(H,40,42)
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| InChIKey |
IFYAGVZPYUZBML-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