General Information of the Compound
| Compound ID |
CP0548391
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| Compound Name |
benzo[b][1]benzazepin-11-yl-[4-[3-(dimethylamino)propoxy]phenyl]methanone
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| Formula |
C26H26N2O2
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| Molecular Weight |
398.506
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| Canonical SMILES |
CN(C)CCCOc1ccc(cc1)C(=O)N1c2ccccc2C=Cc2ccccc12
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| InChI |
InChI=1S/C26H26N2O2/c1-27(2)18-7-19-30-23-16-14-22(15-17-23)26(29)28-24-10-5-3-8-20(24)12-13-21-9-4-6-11-25(21)28/h3-6,8-17H,7,18-19H2,1-2H3
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| InChIKey |
CXRYGXQLDCNCCK-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