General Information of the Compound
| Compound ID |
CP0536634
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| Compound Name |
2-[[4-(1-benzothiophen-5-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]amino]ethanol
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| Structure |
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| Formula |
C20H22N2OS
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| Molecular Weight |
338.476
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| Canonical SMILES |
CN1CC(c2ccc3sccc3c2)c2ccc(NCCO)cc2C1
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| InChI |
InChI=1S/C20H22N2OS/c1-22-12-16-11-17(21-7-8-23)3-4-18(16)19(13-22)14-2-5-20-15(10-14)6-9-24-20/h2-6,9-11,19,21,23H,7-8,12-13H2,1H3
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| InChIKey |
AKCCORFIPGKYKO-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: PT00884, Sodium-dependent dopamine transporter
Protein ID: PT01026, Sodium-dependent noradrenaline transporter
Protein ID: PT00871, Sodium-dependent serotonin transporter