General Information of the Compound
| Compound ID |
CP0407760
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| Compound Name |
7-(3-chlorophenyl)-9-methoxy-4-(pyridin-3-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepine
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| Structure |
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| Formula |
C22H21ClN2O2
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| Molecular Weight |
380.875
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| Canonical SMILES |
COc1cc(cc2CN(Cc3cccnc3)CCOc12)-c1cccc(Cl)c1
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| InChI |
InChI=1S/C22H21ClN2O2/c1-26-21-12-18(17-5-2-6-20(23)11-17)10-19-15-25(8-9-27-22(19)21)14-16-4-3-7-24-13-16/h2-7,10-13H,8-9,14-15H2,1H3
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| InChIKey |
BMLFWVCUWBTTCC-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