General Information of the Compound
| Compound ID |
CP0534104
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| Compound Name |
[4-[6-amino-5-[4-(trifluoromethyl)phenyl]pyridin-3-yl]phenyl]-morpholin-4-ylmethanone
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| Structure |
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| Formula |
C23H20F3N3O2
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| Molecular Weight |
427.426
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| Canonical SMILES |
Nc1ncc(cc1-c1ccc(cc1)C(F)(F)F)-c1ccc(cc1)C(=O)N1CCOCC1
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| InChI |
InChI=1S/C23H20F3N3O2/c24-23(25,26)19-7-5-16(6-8-19)20-13-18(14-28-21(20)27)15-1-3-17(4-2-15)22(30)29-9-11-31-12-10-29/h1-8,13-14H,9-12H2,(H2,27,28)
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| InChIKey |
SOEIQDGWTONCHH-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