General Information of the Compound
| Compound ID |
CP0880322
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| Compound Name |
5-Methyl-2-(2-methylaminomethyl-phenylsulfanyl)-phenylamine
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| Structure |
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| Formula |
C15H14N2O3S
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| Molecular Weight |
302.355
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| Canonical SMILES |
CNC(=O)c1ccccc1Sc1ccc(C)cc1[N+](=O)[O-]
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| InChI |
InChI=1S/C15H14N2O3S/c1-10-7-8-14(12(9-10)17(19)20)21-13-6-4-3-5-11(13)15(18)16-2/h3-9H,1-2H3,(H,16,18)
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| InChIKey |
NXQVAVZAULOMGQ-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