General Information of the Compound
| Compound ID |
CP0462033
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| Compound Name |
N,N-dimethyl-1-[2-[2-[(2-methylphenoxy)methyl]-1-benzothiophen-3-yl]ethyl]piperidin-4-amine
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| Structure |
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| Formula |
C25H32N2OS
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| Molecular Weight |
408.611
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| Canonical SMILES |
CN(C)C1CCN(CCc2c(COc3ccccc3C)sc3ccccc23)CC1
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| InChI |
InChI=1S/C25H32N2OS/c1-19-8-4-6-10-23(19)28-18-25-22(21-9-5-7-11-24(21)29-25)14-17-27-15-12-20(13-16-27)26(2)3/h4-11,20H,12-18H2,1-3H3
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| InChIKey |
YYEIVULPNLLUHN-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