General Information of the Compound
| Compound ID |
CP0490264
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| Compound Name |
N-(1,3-benzodioxol-5-ylmethyl)-N-[[5-(5-ethylsulfonyl-2-methoxyphenyl)-1H-pyrrol-2-yl]methyl]ethanamine
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| Structure |
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| Formula |
C24H28N2O5S
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| Molecular Weight |
456.564
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| Canonical SMILES |
CCN(Cc1ccc([nH]1)-c1cc(ccc1OC)S(=O)(=O)CC)Cc1ccc2OCOc2c1
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| InChI |
InChI=1S/C24H28N2O5S/c1-4-26(14-17-6-10-23-24(12-17)31-16-30-23)15-18-7-9-21(25-18)20-13-19(32(27,28)5-2)8-11-22(20)29-3/h6-13,25H,4-5,14-16H2,1-3H3
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| InChIKey |
UTEKSPGIYDUAMB-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