General Information of the Compound
| Compound ID |
CP0320330
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| Compound Name |
(S)-N-(2,3-dimethylbenzyl)-N-(tetrahydro-2H-pyran-4-yl)pyrrolidin-3-amine
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| Structure |
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| Formula |
C18H28N2O
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| Molecular Weight |
288.435
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| Canonical SMILES |
Cc1cccc(CN([C@H]2CCNC2)C2CCOCC2)c1C
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| InChI |
InChI=1S/C18H28N2O/c1-14-4-3-5-16(15(14)2)13-20(18-6-9-19-12-18)17-7-10-21-11-8-17/h3-5,17-19H,6-13H2,1-2H3/t18-/m0/s1
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| InChIKey |
BGSBHLAICAANSC-SFHVURJKSA-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