General Information of the Compound
| Compound ID |
CP0394009
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| Compound Name |
4-[3-(1-methylimidazol-2-yl)phenyl]-8-(2-phenylethynyl)-1,3-dihydro-1,5-benzodiazepin-2-one
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| Structure |
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| Formula |
C27H20N4O
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| Molecular Weight |
416.484
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| Canonical SMILES |
Cn1ccnc1-c1cccc(c1)C1=Nc2ccc(cc2NC(=O)C1)C#Cc1ccccc1
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| InChI |
InChI=1S/C27H20N4O/c1-31-15-14-28-27(31)22-9-5-8-21(17-22)24-18-26(32)30-25-16-20(12-13-23(25)29-24)11-10-19-6-3-2-4-7-19/h2-9,12-17H,18H2,1H3,(H,30,32)
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| InChIKey |
PWCKQBRIMVSJCD-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