General Information of the Compound
| Compound ID |
CP0472151
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| Compound Name |
8-[2-(4-fluorophenyl)ethynyl]-4-[3-(4-methylimidazol-1-yl)phenyl]-1,3-dihydro-1,5-benzodiazepin-2-one
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| Structure |
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| Formula |
C27H19FN4O
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| Molecular Weight |
434.474
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| Canonical SMILES |
Cc1cn(cn1)-c1cccc(c1)C1=Nc2ccc(cc2NC(=O)C1)C#Cc1ccc(F)cc1
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| InChI |
InChI=1S/C27H19FN4O/c1-18-16-32(17-29-18)23-4-2-3-21(14-23)25-15-27(33)31-26-13-20(9-12-24(26)30-25)6-5-19-7-10-22(28)11-8-19/h2-4,7-14,16-17H,15H2,1H3,(H,31,33)
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| InChIKey |
LKAVVNWQCXGNTP-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