General Information of the Compound
| Compound ID |
CP0517833
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| Compound Name |
[6-[methyl(3-phenylpropyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]methanol
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| Structure |
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| Formula |
C20H27NOS
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| Molecular Weight |
329.509
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| Canonical SMILES |
CN(CCCc1ccccc1)C1CCc2cc(CO)sc2CC1
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| InChI |
InChI=1S/C20H27NOS/c1-21(13-5-8-16-6-3-2-4-7-16)18-10-9-17-14-19(15-22)23-20(17)12-11-18/h2-4,6-7,14,18,22H,5,8-13,15H2,1H3
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| InChIKey |
UAMICTNBFXMAML-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