General Information of the Compound
| Compound ID |
CP0471834
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| Compound Name |
7-chloro-5-(2-fluorophenyl)-3-(3-oxo-4-phenylbutyl)-1,3-dihydro-1,4-benzodiazepin-2-one
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| Structure |
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| Formula |
C25H20ClFN2O2
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| Molecular Weight |
434.898
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| Canonical SMILES |
Fc1ccccc1C1=NC(CCC(=O)Cc2ccccc2)C(=O)Nc2ccc(Cl)cc12
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| InChI |
InChI=1S/C25H20ClFN2O2/c26-17-10-12-22-20(15-17)24(19-8-4-5-9-21(19)27)28-23(25(31)29-22)13-11-18(30)14-16-6-2-1-3-7-16/h1-10,12,15,23H,11,13-14H2,(H,29,31)
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| InChIKey |
AJQOORUSKRJDNJ-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