General Information of the Compound
| Compound ID |
CP0387768
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| Compound Name |
(S)-N-(2,3-dichlorobenzyl)-N-(pyrrolidin-3-yl)-tetrahydro-2H-pyran-4-carboxamide
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| Structure |
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| Formula |
C17H22Cl2N2O2
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| Molecular Weight |
357.281
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| Canonical SMILES |
Clc1cccc(CN([C@H]2CCNC2)C(=O)C2CCOCC2)c1Cl
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| InChI |
InChI=1S/C17H22Cl2N2O2/c18-15-3-1-2-13(16(15)19)11-21(14-4-7-20-10-14)17(22)12-5-8-23-9-6-12/h1-3,12,14,20H,4-11H2/t14-/m0/s1
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| InChIKey |
DFLDZWQBWUBYFS-AWEZNQCLSA-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: PT01026, Sodium-dependent noradrenaline transporter
Protein ID: PT00871, Sodium-dependent serotonin transporter