General Information of the Compound
| Compound ID |
CP0859663
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| Compound Name |
N-((1R,3S)-3-(5-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-yl)-4H-1,2,4-triazol-3-yl)cyclohexyl)-N-methyl-3-(trifluoromethyl)benzamide
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| Structure |
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| Formula |
C23H25F3N6O2
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| Molecular Weight |
474.487
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| Canonical SMILES |
CN(C(=O)c1cccc(C(F)(F)F)c1)[C@@H]1CCC[C@H](c2nnc(-c3cnc4n3CCOC4)[nH]2)C1
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| InChI |
InChI=1S/C23H25F3N6O2/c1-31(22(33)15-5-2-6-16(10-15)23(24,25)26)17-7-3-4-14(11-17)20-28-21(30-29-20)18-12-27-19-13-34-9-8-32(18)19/h2,5-6,10,12,14,17H,3-4,7-9,11,13H2,1H3,(H,28,29,30)/t14-,17+/m0/s1
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| InChIKey |
RNWZMGMGHXDDTR-WMLDXEAASA-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