General Information of the Compound
| Compound ID |
CP0243343
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| Compound Name |
4-(3-(1-methyl-1H-pyrazol-5-yl)phenyl)-8-(trifluoromethyl)-1H-benzo[b][1,4]diazepin-2(3H)-one
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| Structure |
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| Formula |
C20H15F3N4O
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| Molecular Weight |
384.361
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| Canonical SMILES |
Cn1nccc1-c1cccc(c1)C1=Nc2ccc(cc2NC(=O)C1)C(F)(F)F
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| InChI |
InChI=1S/C20H15F3N4O/c1-27-18(7-8-24-27)13-4-2-3-12(9-13)16-11-19(28)26-17-10-14(20(21,22)23)5-6-15(17)25-16/h2-10H,11H2,1H3,(H,26,28)
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| InChIKey |
HCTPTSYQIAECHU-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