General Information of the Compound
| Compound ID |
CP0438990
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| Compound Name |
(S)-N-(2,4-dichlorobenzyl)-N-(pyrrolidin-3-yl)benzamide
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| Structure |
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| Formula |
C18H18Cl2N2O
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| Molecular Weight |
349.261
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| Canonical SMILES |
Clc1ccc(CN([C@H]2CCNC2)C(=O)c2ccccc2)c(Cl)c1
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| InChI |
InChI=1S/C18H18Cl2N2O/c19-15-7-6-14(17(20)10-15)12-22(16-8-9-21-11-16)18(23)13-4-2-1-3-5-13/h1-7,10,16,21H,8-9,11-12H2/t16-/m0/s1
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| InChIKey |
FXQFRAJLWAPPQJ-INIZCTEOSA-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