General Information of the Compound
| Compound ID |
CP0527205
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| Compound Name |
N-methyl-N-(4-phenylbutyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-6-amine
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| Structure |
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| Formula |
C20H27NS
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| Molecular Weight |
313.51
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| Canonical SMILES |
CN(CCCCc1ccccc1)C1CCc2ccsc2CC1
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| InChI |
InChI=1S/C20H27NS/c1-21(15-6-5-9-17-7-3-2-4-8-17)19-11-10-18-14-16-22-20(18)13-12-19/h2-4,7-8,14,16,19H,5-6,9-13,15H2,1H3
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| InChIKey |
ZIBJYGHZMITECJ-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