General Information of the Compound
| Compound ID |
CP0496806
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| Compound Name |
N,N-dimethyl-3-[[methyl(2-phenylethyl)amino]methyl]-2,4-dihydro-1,5-benzodioxepin-3-amine
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| Structure |
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| Formula |
C21H28N2O2
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| Molecular Weight |
340.467
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| Canonical SMILES |
CN(CCc1ccccc1)CC1(COc2ccccc2OC1)N(C)C
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| InChI |
InChI=1S/C21H28N2O2/c1-22(2)21(15-23(3)14-13-18-9-5-4-6-10-18)16-24-19-11-7-8-12-20(19)25-17-21/h4-12H,13-17H2,1-3H3
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| InChIKey |
NOVHBLUNWGORLP-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