General Information of the Compound
| Compound ID |
CP0368814
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| Compound Name |
4-(3-(7-methyl-2-oxo-8-(trifluoromethyl)-2,3-dihydro-1H-benzo[b][1,4]diazepin-4-yl)phenyl)picolinonitrile
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| Structure |
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| Formula |
C23H15F3N4O
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| Molecular Weight |
420.394
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| Canonical SMILES |
Cc1cc2N=C(CC(=O)Nc2cc1C(F)(F)F)c1cccc(c1)-c1ccnc(c1)C#N
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| InChI |
InChI=1S/C23H15F3N4O/c1-13-7-20-21(10-18(13)23(24,25)26)30-22(31)11-19(29-20)16-4-2-3-14(8-16)15-5-6-28-17(9-15)12-27/h2-10H,11H2,1H3,(H,30,31)
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| InChIKey |
GULBXBDWXRIUAY-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