General Information of the Compound
| Compound ID |
CP0297209
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| Compound Name |
4-(3-(2-ethyl-6-methylpyridin-4-yl)phenyl)-7-methyl-8-(trifluoromethyl)-1H-benzo[b][1,4]diazepin-2(3H)-one
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| Structure |
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| Formula |
C25H22F3N3O
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| Molecular Weight |
437.465
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| Canonical SMILES |
CCc1cc(cc(C)n1)-c1cccc(c1)C1=Nc2cc(C)c(cc2NC(=O)C1)C(F)(F)F
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| InChI |
InChI=1S/C25H22F3N3O/c1-4-19-11-18(9-15(3)29-19)16-6-5-7-17(10-16)21-13-24(32)31-23-12-20(25(26,27)28)14(2)8-22(23)30-21/h5-12H,4,13H2,1-3H3,(H,31,32)
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| InChIKey |
AFSJGBXRHLXBHV-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