General Information of the Compound
| Compound ID |
CP0177511
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| Compound Name |
(2-methyl-benzyl)-(S)-pyrrolidin-3-yl-(tetrahydro-pyran-4-yl)-amine
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| Structure |
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| Formula |
C17H26N2O
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| Molecular Weight |
274.408
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| Canonical SMILES |
Cc1ccccc1CN([C@H]1CCNC1)C1CCOCC1
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| InChI |
InChI=1S/C17H26N2O/c1-14-4-2-3-5-15(14)13-19(17-6-9-18-12-17)16-7-10-20-11-8-16/h2-5,16-18H,6-13H2,1H3/t17-/m0/s1
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| InChIKey |
WMWARSGGACJLII-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