General Information of the Compound
| Compound ID |
CP0435002
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| Compound Name |
(R,S/S,R)-syn-1-((2-methoxyphenyl)(methyl)amino)-3-(methylamino)-1-phenylpropan-2-ol
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| Structure |
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| Formula |
C18H24N2O2
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| Molecular Weight |
300.402
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| Canonical SMILES |
CNC[C@@H](O)[C@@H](N(C)c1ccccc1OC)c1ccccc1
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| InChI |
InChI=1S/C18H24N2O2/c1-19-13-16(21)18(14-9-5-4-6-10-14)20(2)15-11-7-8-12-17(15)22-3/h4-12,16,18-19,21H,13H2,1-3H3/t16-,18+/m1/s1
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| InChIKey |
NTKCCYPDVMIZQP-AEFFLSMTSA-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