General Information of the Compound
| Compound ID |
CP0914280
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| Compound Name |
11-(2-chloro-6-fluorophenyl)-3,3-dimethyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepine-8-carbonitrile
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| Structure |
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| Formula |
C22H19ClFN3O
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| Molecular Weight |
395.865
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| Canonical SMILES |
CC1(C)CC(=O)C2=C(C1)Nc1ccc(C#N)cc1NC2c1c(F)cccc1Cl
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| InChI |
InChI=1S/C22H19ClFN3O/c1-22(2)9-17-20(18(28)10-22)21(19-13(23)4-3-5-14(19)24)27-16-8-12(11-25)6-7-15(16)26-17/h3-8,21,26-27H,9-10H2,1-2H3
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| InChIKey |
ZQECCHNBLBBQKT-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