General Information of the Compound
| Compound ID |
CP0521347
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| Compound Name |
N-benzyl-N-ethyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-6-amine
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| Structure |
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| Formula |
C18H23NS
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| Molecular Weight |
285.456
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| Canonical SMILES |
CCN(Cc1ccccc1)C1CCc2ccsc2CC1
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| InChI |
InChI=1S/C18H23NS/c1-2-19(14-15-6-4-3-5-7-15)17-9-8-16-12-13-20-18(16)11-10-17/h3-7,12-13,17H,2,8-11,14H2,1H3
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| InChIKey |
CVAIAAUHFMEJNA-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