General Information of the Compound
| Compound ID |
CP0295951
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| Compound Name |
4-(3-(2-ethylpyridin-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 |
C24H20F3N3O
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| Molecular Weight |
423.438
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| Canonical SMILES |
CCc1cc(ccn1)-c1cccc(c1)C1=Nc2cc(C)c(cc2NC(=O)C1)C(F)(F)F
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| InChI |
InChI=1S/C24H20F3N3O/c1-3-18-11-16(7-8-28-18)15-5-4-6-17(10-15)20-13-23(31)30-22-12-19(24(25,26)27)14(2)9-21(22)29-20/h4-12H,3,13H2,1-2H3,(H,30,31)
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| InChIKey |
CHTAULFZQPVWNJ-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