General Information of the Compound
| Compound ID |
CP0372302
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| Compound Name |
(R,S/S,R)-syn-1-(methyl(naphthalen-1-yl)amino)-3-(methylamino)-1-phenylpropan-2-ol
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| Structure |
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| Formula |
C21H24N2O
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| Molecular Weight |
320.436
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| Canonical SMILES |
CNC[C@@H](O)[C@@H](N(C)c1cccc2ccccc12)c1ccccc1
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| InChI |
InChI=1S/C21H24N2O/c1-22-15-20(24)21(17-10-4-3-5-11-17)23(2)19-14-8-12-16-9-6-7-13-18(16)19/h3-14,20-22,24H,15H2,1-2H3/t20-,21+/m1/s1
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| InChIKey |
RLUHSIYRINOGAT-RTWAWAEBSA-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