General Information of the Compound
| Compound ID |
CP0947408
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| Compound Name |
11-(2-chloro-6-fluorophenyl)-10-ethyl-3,3,8-trimethyl-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 |
C24H26ClFN2O
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| Molecular Weight |
412.936
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| Canonical SMILES |
CCN1c2cc(C)ccc2NC2=C(C(=O)CC(C)(C)C2)C1c1c(F)cccc1Cl
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| InChI |
InChI=1S/C24H26ClFN2O/c1-5-28-19-11-14(2)9-10-17(19)27-18-12-24(3,4)13-20(29)22(18)23(28)21-15(25)7-6-8-16(21)26/h6-11,23,27H,5,12-13H2,1-4H3
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| InChIKey |
QJXUTBFXBJDVPC-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