General Information of the Compound
| Compound ID |
CP0443614
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| Compound Name |
(R)-3,4-dichloro-N-ethyl-2-methyl-N-(pyrrolidin-3-yl)benzamide
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| Structure |
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| Formula |
C14H18Cl2N2O
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| Molecular Weight |
301.217
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| Canonical SMILES |
CCN([C@@H]1CCNC1)C(=O)c1ccc(Cl)c(Cl)c1C
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| InChI |
InChI=1S/C14H18Cl2N2O/c1-3-18(10-6-7-17-8-10)14(19)11-4-5-12(15)13(16)9(11)2/h4-5,10,17H,3,6-8H2,1-2H3/t10-/m1/s1
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| InChIKey |
XQHYQPRYOHIDGH-SNVBAGLBSA-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