General Information of the Compound
| Compound ID |
CP0393189
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| Compound Name |
(S)-N-(2,3,5-trichlorobenzyl)-N-(pyrrolidin-3-yl)isobutyramide
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| Structure |
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| Formula |
C15H19Cl3N2O
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| Molecular Weight |
349.689
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| Canonical SMILES |
CC(C)C(=O)N(Cc1cc(Cl)cc(Cl)c1Cl)[C@H]1CCNC1
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| InChI |
InChI=1S/C15H19Cl3N2O/c1-9(2)15(21)20(12-3-4-19-7-12)8-10-5-11(16)6-13(17)14(10)18/h5-6,9,12,19H,3-4,7-8H2,1-2H3/t12-/m0/s1
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| InChIKey |
VGSCEHIVOAIVKK-LBPRGKRZSA-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