General Information of the Compound
| Compound ID |
CP0472153
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| Compound Name |
4-(3-imidazol-1-ylphenyl)-8-(2-phenylethynyl)-1,3-dihydro-1,5-benzodiazepin-2-one
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| Structure |
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| Formula |
C26H18N4O
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| Molecular Weight |
402.457
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| Canonical SMILES |
O=C1CC(=Nc2ccc(cc2N1)C#Cc1ccccc1)c1cccc(c1)-n1ccnc1
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| InChI |
InChI=1S/C26H18N4O/c31-26-17-24(21-7-4-8-22(16-21)30-14-13-27-18-30)28-23-12-11-20(15-25(23)29-26)10-9-19-5-2-1-3-6-19/h1-8,11-16,18H,17H2,(H,29,31)
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| InChIKey |
GNVREJXAWPHIJN-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