General Information of the Compound
| Compound ID |
CP0395160
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| Compound Name |
[3-amino-4-[2-(methylaminomethyl)phenyl]sulfanylphenyl]methanol
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| Structure |
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| Formula |
C15H18N2OS
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| Molecular Weight |
274.389
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| Canonical SMILES |
CNCc1ccccc1Sc1ccc(CO)cc1N
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| InChI |
InChI=1S/C15H18N2OS/c1-17-9-12-4-2-3-5-14(12)19-15-7-6-11(10-18)8-13(15)16/h2-8,17-18H,9-10,16H2,1H3
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| InChIKey |
MVOUTMRHQVFORJ-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