General Information of the Compound
| Compound ID |
CP0536199
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| Compound Name |
7-(2-hydroxyethoxy)-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 |
C28H22N4O3
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| Molecular Weight |
462.509
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| Canonical SMILES |
OCCOc1cc2N=C(CC(=O)Nc2cc1C#Cc1ccccc1)c1cccc(c1)-n1ccnc1
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| InChI |
InChI=1S/C28H22N4O3/c33-13-14-35-27-17-26-25(16-22(27)10-9-20-5-2-1-3-6-20)31-28(34)18-24(30-26)21-7-4-8-23(15-21)32-12-11-29-19-32/h1-8,11-12,15-17,19,33H,13-14,18H2,(H,31,34)
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| InChIKey |
VLBYHFRQWRWEEI-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