General Information of the Compound
| Compound ID |
CP0444975
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| Compound Name |
3-((4-methoxyphenethylamino)methyl)-N,N-dimethyl-3,4-dihydro-2H-benzo[b][1,4]dioxepin-3-amine
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| Structure |
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| Formula |
C21H28N2O3
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| Molecular Weight |
356.466
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| Canonical SMILES |
COc1ccc(CCNCC2(COc3ccccc3OC2)N(C)C)cc1
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| InChI |
InChI=1S/C21H28N2O3/c1-23(2)21(15-25-19-6-4-5-7-20(19)26-16-21)14-22-13-12-17-8-10-18(24-3)11-9-17/h4-11,22H,12-16H2,1-3H3
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| InChIKey |
NEJXTPAHRJINQU-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