General Information of the Compound
| Compound ID |
CP0487443
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| Compound Name |
2-(5-ethylsulfonyl-2-methoxyphenyl)-5-[(2-phenylpyrrolidin-1-yl)methyl]-1H-pyrrole
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| Structure |
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| Formula |
C24H28N2O3S
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| Molecular Weight |
424.566
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| Canonical SMILES |
CCS(=O)(=O)c1ccc(OC)c(c1)-c1ccc(CN2CCCC2c2ccccc2)[nH]1
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| InChI |
InChI=1S/C24H28N2O3S/c1-3-30(27,28)20-12-14-24(29-2)21(16-20)22-13-11-19(25-22)17-26-15-7-10-23(26)18-8-5-4-6-9-18/h4-6,8-9,11-14,16,23,25H,3,7,10,15,17H2,1-2H3
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| InChIKey |
XKRYBGZHAIRWAY-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