General Information of the Compound
| Compound ID |
CP0498538
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| Compound Name |
(S)-N-(2,4-dichlorobenzyl)-3,3-dimethyl-N-(pyrrolidin-3-yl)butanamide
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| Structure |
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| Formula |
C17H24Cl2N2O
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| Molecular Weight |
343.298
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| Canonical SMILES |
CC(C)(C)CC(=O)N(Cc1ccc(Cl)cc1Cl)[C@H]1CCNC1
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| InChI |
InChI=1S/C17H24Cl2N2O/c1-17(2,3)9-16(22)21(14-6-7-20-10-14)11-12-4-5-13(18)8-15(12)19/h4-5,8,14,20H,6-7,9-11H2,1-3H3/t14-/m0/s1
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| InChIKey |
DINOQTNPFRDVRK-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: PT00884, Sodium-dependent dopamine transporter
Protein ID: PT01026, Sodium-dependent noradrenaline transporter
Protein ID: PT00871, Sodium-dependent serotonin transporter