General Information of the Compound
| Compound ID |
CP0548246
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| Compound Name |
7-chloro-5-(2-fluorophenyl)-3-(3-oxo-3-thiomorpholin-4-ylpropyl)-1,3-dihydro-1,4-benzodiazepin-2-one
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| Structure |
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| Formula |
C22H21ClFN3O2S
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| Molecular Weight |
445.947
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| Canonical SMILES |
Fc1ccccc1C1=NC(CCC(=O)N2CCSCC2)C(=O)Nc2ccc(Cl)cc12
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| InChI |
InChI=1S/C22H21ClFN3O2S/c23-14-5-6-18-16(13-14)21(15-3-1-2-4-17(15)24)25-19(22(29)26-18)7-8-20(28)27-9-11-30-12-10-27/h1-6,13,19H,7-12H2,(H,26,29)
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| InChIKey |
PYCAJFMYSOAION-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