General Information of the Compound
| Compound ID |
CP0401590
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| Compound Name |
N-ethyl-N-[[5-(5-ethylsulfonyl-2-methoxyphenyl)-1H-pyrrol-2-yl]methyl]ethanamine
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| Structure |
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| Formula |
C18H26N2O3S
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| Molecular Weight |
350.484
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| Canonical SMILES |
CCN(CC)Cc1ccc([nH]1)-c1cc(ccc1OC)S(=O)(=O)CC
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| InChI |
InChI=1S/C18H26N2O3S/c1-5-20(6-2)13-14-8-10-17(19-14)16-12-15(24(21,22)7-3)9-11-18(16)23-4/h8-12,19H,5-7,13H2,1-4H3
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| InChIKey |
VMATXNORBZBLAE-UHFFFAOYSA-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