General Information of the Compound
| Compound ID |
CP0371812
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| Compound Name |
8-[2-(4-fluorophenyl)ethynyl]-4-(3-imidazol-1-ylphenyl)-1,3-dihydro-1,5-benzodiazepin-2-one
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| Structure |
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| Formula |
C26H17FN4O
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| Molecular Weight |
420.447
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| Canonical SMILES |
Fc1ccc(cc1)C#Cc1ccc2N=C(CC(=O)Nc2c1)c1cccc(c1)-n1ccnc1
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| InChI |
InChI=1S/C26H17FN4O/c27-21-9-6-18(7-10-21)4-5-19-8-11-23-25(14-19)30-26(32)16-24(29-23)20-2-1-3-22(15-20)31-13-12-28-17-31/h1-3,6-15,17H,16H2,(H,30,32)
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| InChIKey |
PLOMPBOPGTUIOH-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