General Information of the Compound
| Compound ID |
CP0336098
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| Compound Name |
4-(3-(2-(methoxymethyl)-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 |
C25H22F3N3O2
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| Molecular Weight |
453.464
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| Canonical SMILES |
COCc1cc(cc(C)n1)-c1cccc(c1)C1=Nc2cc(C)c(cc2NC(=O)C1)C(F)(F)F
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| InChI |
InChI=1S/C25H22F3N3O2/c1-14-7-22-23(11-20(14)25(26,27)28)31-24(32)12-21(30-22)17-6-4-5-16(9-17)18-8-15(2)29-19(10-18)13-33-3/h4-11H,12-13H2,1-3H3,(H,31,32)
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| InChIKey |
GLVWQOVJLGBNIH-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