General Information of the Compound
| Compound ID |
CP0396903
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| Compound Name |
2-(4-tert-butylphenyl)-1-[2-(trifluoromethyl)-5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-6-yl]ethanone
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| Structure |
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| Formula |
C25H24F3N3O
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| Molecular Weight |
439.481
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| Canonical SMILES |
CC(C)(C)c1ccc(CC(=O)N2Cc3ccc(nc3Nc3ccccc23)C(F)(F)F)cc1
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| InChI |
InChI=1S/C25H24F3N3O/c1-24(2,3)18-11-8-16(9-12-18)14-22(32)31-15-17-10-13-21(25(26,27)28)30-23(17)29-19-6-4-5-7-20(19)31/h4-13H,14-15H2,1-3H3,(H,29,30)
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| InChIKey |
GECLYQBQJLSAFB-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
Protein ID: PT01996, Bombesin receptor subtype-3
Protein ID: PT05422, Bombesin receptor subtype-3