General Information of the Compound
| Compound ID |
CP0157735
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| Compound Name |
(S)-N-(2,3-dimethylbenzyl)-N-(pyridin-2-ylmethyl)pyrrolidin-3-amine
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| Structure |
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| Formula |
C19H25N3
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| Molecular Weight |
295.43
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| Canonical SMILES |
Cc1cccc(CN(Cc2ccccn2)[C@H]2CCNC2)c1C
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| InChI |
InChI=1S/C19H25N3/c1-15-6-5-7-17(16(15)2)13-22(19-9-11-20-12-19)14-18-8-3-4-10-21-18/h3-8,10,19-20H,9,11-14H2,1-2H3/t19-/m0/s1
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| InChIKey |
CHDGVSNCSOCUHK-IBGZPJMESA-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