General Information of the Compound
| Compound ID |
CP0947407
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| Compound Name |
11-(2-chloro-6-fluorophenyl)-3,3-dimethyl-8-(trifluoromethoxy)-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 |
C22H19ClF4N2O2
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| Molecular Weight |
454.851
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| Canonical SMILES |
CC1(C)CC(=O)C2=C(C1)Nc1ccc(OC(F)(F)F)cc1NC2c1c(F)cccc1Cl
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| InChI |
InChI=1S/C22H19ClF4N2O2/c1-21(2)9-16-19(17(30)10-21)20(18-12(23)4-3-5-13(18)24)29-15-8-11(31-22(25,26)27)6-7-14(15)28-16/h3-8,20,28-29H,9-10H2,1-2H3
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| InChIKey |
JMKGZICOFYMWOS-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