General Information of the Compound
| Compound ID |
CP0371810
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| Compound Name |
2-[[4-(3-imidazol-1-ylphenyl)-2-oxo-8-(2-phenylethynyl)-1,3-dihydro-1,5-benzodiazepin-7-yl]oxy]acetonitrile
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| Structure |
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| Formula |
C28H19N5O2
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| Molecular Weight |
457.493
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| Canonical SMILES |
O=C1CC(=Nc2cc(OCC#N)c(cc2N1)C#Cc1ccccc1)c1cccc(c1)-n1ccnc1
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| InChI |
InChI=1S/C28H19N5O2/c29-11-14-35-27-17-26-25(16-22(27)10-9-20-5-2-1-3-6-20)32-28(34)18-24(31-26)21-7-4-8-23(15-21)33-13-12-30-19-33/h1-8,12-13,15-17,19H,14,18H2,(H,32,34)
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| InChIKey |
MIKJDYQBHVZYBY-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