General Information of the Compound
| Compound ID |
CP0472150
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| Compound Name |
8-[2-(4-fluorophenyl)ethynyl]-7-(2-hydroxyethoxy)-4-(3-imidazol-1-ylphenyl)-1,3-dihydro-1,5-benzodiazepin-2-one
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| Structure |
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| Formula |
C28H21FN4O3
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| Molecular Weight |
480.499
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| Canonical SMILES |
OCCOc1cc2N=C(CC(=O)Nc2cc1C#Cc1ccc(F)cc1)c1cccc(c1)-n1ccnc1
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| InChI |
InChI=1S/C28H21FN4O3/c29-22-8-5-19(6-9-22)4-7-21-15-25-26(16-27(21)36-13-12-34)31-24(17-28(35)32-25)20-2-1-3-23(14-20)33-11-10-30-18-33/h1-3,5-6,8-11,14-16,18,34H,12-13,17H2,(H,32,35)
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| InChIKey |
MYEKYFUWNWDWRH-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