General Information of the Compound
| Compound ID |
CP0317054
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| Compound Name |
(2-Phenoxy-benzyl)-(S)-pyrrolidin-3-yl-carbamic acid ethyl ester
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| Structure |
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| Formula |
C20H24N2O3
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| Molecular Weight |
340.423
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| Canonical SMILES |
CCOC(=O)N(Cc1ccccc1Oc1ccccc1)[C@H]1CCNC1
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| InChI |
InChI=1S/C20H24N2O3/c1-2-24-20(23)22(17-12-13-21-14-17)15-16-8-6-7-11-19(16)25-18-9-4-3-5-10-18/h3-11,17,21H,2,12-15H2,1H3/t17-/m0/s1
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| InChIKey |
UYSHSCPIMATHOZ-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