General Information of the Compound
| Compound ID |
CP0101909
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| Compound Name |
4-(3-(2-isopropylpyridin-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 |
CC(C)c1cc(ccn1)-c1cccc(c1)C1=Nc2cc(C)c(cc2NC(=O)C1)C(F)(F)F
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| InChI |
InChI=1S/C25H22F3N3O/c1-14(2)20-11-17(7-8-29-20)16-5-4-6-18(10-16)21-13-24(32)31-23-12-19(25(26,27)28)15(3)9-22(23)30-21/h4-12,14H,13H2,1-3H3,(H,31,32)
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| InChIKey |
OSKFHCGAJCHTQP-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