General Information of the Compound
| Compound ID |
CP0106454
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| Compound Name |
(S)-3-bromo-N-((1-ethylpyrrolidin-2-yl)methyl)-2-hydroxy-5,6-dimethoxybenzamide
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| Structure |
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| Formula |
C16H23BrN2O4
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| Molecular Weight |
387.274
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| Canonical SMILES |
CCN1CCC[C@H]1CNC(=O)c1c(O)c(Br)cc(OC)c1OC
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| InChI |
InChI=1S/C16H23BrN2O4/c1-4-19-7-5-6-10(19)9-18-16(21)13-14(20)11(17)8-12(22-2)15(13)23-3/h8,10,20H,4-7,9H2,1-3H3,(H,18,21)/t10-/m0/s1
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| InChIKey |
WGLPSCZHULDZSS-JTQLQIEISA-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: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor
Protein ID: PT01161, D(4) dopamine receptor