General Information of the Compound
| Compound ID |
CP0485539
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| Compound Name |
3-(4-cyclohexylbutyl)-N,N-dimethyl-3,4-dihydro-2H-benzo[b][1,4]dioxepin-3-amine
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| Structure |
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| Formula |
C21H33NO2
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| Molecular Weight |
331.5
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| Canonical SMILES |
CN(C)C1(CCCCC2CCCCC2)COc2ccccc2OC1
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| InChI |
InChI=1S/C21H33NO2/c1-22(2)21(15-9-8-12-18-10-4-3-5-11-18)16-23-19-13-6-7-14-20(19)24-17-21/h6-7,13-14,18H,3-5,8-12,15-17H2,1-2H3
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| InChIKey |
MREDDVDVVADTHB-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