General Information of the Compound
| Compound ID |
CP0379349
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| Compound Name |
3-(1-benzothiophen-2-yl)-N,N-dimethyl-3-morpholin-4-ylpropan-1-amine
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| Structure |
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| Formula |
C17H24N2OS
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| Molecular Weight |
304.459
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| Canonical SMILES |
CN(C)CCC(N1CCOCC1)c1cc2ccccc2s1
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| InChI |
InChI=1S/C17H24N2OS/c1-18(2)8-7-15(19-9-11-20-12-10-19)17-13-14-5-3-4-6-16(14)21-17/h3-6,13,15H,7-12H2,1-2H3
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| InChIKey |
JQUXSYNGQWDWDG-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
Protein ID: PT01026, Sodium-dependent noradrenaline transporter
Protein ID: PT00871, Sodium-dependent serotonin transporter