General Information of the Compound
| Compound ID |
CP0860620
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| Compound Name |
11-(2-chloro-6-fluorophenyl)-8-methoxy-3,3-dimethyl-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 |
C22H22ClFN2O2
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| Molecular Weight |
400.881
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| Canonical SMILES |
COc1ccc2c(c1)NC(c1c(F)cccc1Cl)C1=C(CC(C)(C)CC1=O)N2
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| InChI |
InChI=1S/C22H22ClFN2O2/c1-22(2)10-17-20(18(27)11-22)21(19-13(23)5-4-6-14(19)24)26-16-9-12(28-3)7-8-15(16)25-17/h4-9,21,25-26H,10-11H2,1-3H3
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| InChIKey |
GNJHXXHKZSMLJI-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