General Information of the Compound
| Compound ID |
CP0893236
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| Compound Name |
11-(2-chloro-6-fluorophenyl)-8-methyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
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| Structure |
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| Formula |
C20H18ClFN2O
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| Molecular Weight |
356.828
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| Canonical SMILES |
Cc1ccc2c(c1)NC(c1c(F)cccc1Cl)C1=C(CCCC1=O)N2
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| InChI |
InChI=1S/C20H18ClFN2O/c1-11-8-9-14-16(10-11)24-20(18-12(21)4-2-5-13(18)22)19-15(23-14)6-3-7-17(19)25/h2,4-5,8-10,20,23-24H,3,6-7H2,1H3
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| InChIKey |
FVLQKDWADPKZFA-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