General Information of the Compound
| Compound ID |
CP0334501
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| Compound Name |
(S)-N-(3-methoxy-2-methylbenzyl)-N-(tetrahydro-2H-pyran-4-yl)pyrrolidin-3-amine
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| Structure |
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| Formula |
C18H28N2O2
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| Molecular Weight |
304.434
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| Canonical SMILES |
COc1cccc(CN([C@H]2CCNC2)C2CCOCC2)c1C
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| InChI |
InChI=1S/C18H28N2O2/c1-14-15(4-3-5-18(14)21-2)13-20(17-6-9-19-12-17)16-7-10-22-11-8-16/h3-5,16-17,19H,6-13H2,1-2H3/t17-/m0/s1
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| InChIKey |
IVMHSWRHRXAZNE-KRWDZBQOSA-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