General Information of the Compound
| Compound ID |
CP0562077
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| Compound Name |
N-benzyl-N-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-6-amine
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| Structure |
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| Formula |
C17H21NS
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| Molecular Weight |
271.429
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| Canonical SMILES |
CN(Cc1ccccc1)C1CCc2ccsc2CC1
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| InChI |
InChI=1S/C17H21NS/c1-18(13-14-5-3-2-4-6-14)16-8-7-15-11-12-19-17(15)10-9-16/h2-6,11-12,16H,7-10,13H2,1H3
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| InChIKey |
XMEMLYUKNGKXBC-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