General Information of the Compound
| Compound ID |
CP0096209
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| Compound Name |
2-(methylaminomethyl)-1-(2-methylphenyl)sulfanyl-1,3-dihydroinden-2-ol
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| Structure |
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| Formula |
C18H21NOS
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| Molecular Weight |
299.439
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| Canonical SMILES |
CNCC1(O)Cc2ccccc2C1Sc1ccccc1C
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| InChI |
InChI=1S/C18H21NOS/c1-13-7-3-6-10-16(13)21-17-15-9-5-4-8-14(15)11-18(17,20)12-19-2/h3-10,17,19-20H,11-12H2,1-2H3
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| InChIKey |
RWLJNOQFNVGFMO-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