General Information of the Compound
| Compound ID |
CP0565306
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| Compound Name |
3-[7-chloro-5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]-N,N-diethylpropanamide
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| Structure |
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| Formula |
C22H23ClFN3O2
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| Molecular Weight |
415.896
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| Canonical SMILES |
CCN(CC)C(=O)CCC1N=C(c2ccccc2F)c2cc(Cl)ccc2NC1=O
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| InChI |
InChI=1S/C22H23ClFN3O2/c1-3-27(4-2)20(28)12-11-19-22(29)26-18-10-9-14(23)13-16(18)21(25-19)15-7-5-6-8-17(15)24/h5-10,13,19H,3-4,11-12H2,1-2H3,(H,26,29)
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| InChIKey |
FIJUTOQYZQTJSG-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