General Information of the Compound
| Compound ID |
CP0914498
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| Compound Name |
11-(2-chloro-6-fluorophenyl)-3-(4-methoxyphenyl)-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 |
C27H24ClFN2O2
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| Molecular Weight |
462.952
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| Canonical SMILES |
COc1ccc(C2CC(=O)C3=C(C2)Nc2ccc(C)cc2NC3c2c(F)cccc2Cl)cc1
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| InChI |
InChI=1S/C27H24ClFN2O2/c1-15-6-11-21-22(12-15)31-27(25-19(28)4-3-5-20(25)29)26-23(30-21)13-17(14-24(26)32)16-7-9-18(33-2)10-8-16/h3-12,17,27,30-31H,13-14H2,1-2H3
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| InChIKey |
HWGSVPFSZBQBSJ-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