General Information of the Compound
| Compound ID |
CP0947410
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| Compound Name |
11-(2-chloro-6-fluorophenyl)-3-isopropyl-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 |
C23H24ClFN2O
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| Molecular Weight |
398.909
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| Canonical SMILES |
Cc1ccc2c(c1)NC(c1c(F)cccc1Cl)C1=C(CC(C(C)C)CC1=O)N2
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| InChI |
InChI=1S/C23H24ClFN2O/c1-12(2)14-10-19-22(20(28)11-14)23(21-15(24)5-4-6-16(21)25)27-18-9-13(3)7-8-17(18)26-19/h4-9,12,14,23,26-27H,10-11H2,1-3H3
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| InChIKey |
OHHVXMPBSWCHPU-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