General Information of the Compound
| Compound ID |
CP0401398
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| Compound Name |
7-(3-Chloro-4-fluorophenyl)-5-methyl-1,3-dihydro-H-1,4-benzodiazepin-2-one
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| Structure |
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| Formula |
C16H12ClFN2O
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| Molecular Weight |
302.736
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| Canonical SMILES |
CC1=NCC(=O)Nc2ccc(cc12)-c1ccc(F)c(Cl)c1
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| InChI |
InChI=1S/C16H12ClFN2O/c1-9-12-6-10(11-2-4-14(18)13(17)7-11)3-5-15(12)20-16(21)8-19-9/h2-7H,8H2,1H3,(H,20,21)
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| InChIKey |
NUKNRAGNGWQDEM-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