General Information of the Compound
| Compound ID |
CP0461858
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| Compound Name |
1-[1-[5-(5-ethylsulfonyl-2-methoxyphenyl)-1H-pyrrol-2-yl]ethyl]piperidine
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| Structure |
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| Formula |
C20H28N2O3S
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| Molecular Weight |
376.522
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| Canonical SMILES |
CCS(=O)(=O)c1ccc(OC)c(c1)-c1ccc([nH]1)C(C)N1CCCCC1
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| InChI |
InChI=1S/C20H28N2O3S/c1-4-26(23,24)16-8-11-20(25-3)17(14-16)19-10-9-18(21-19)15(2)22-12-6-5-7-13-22/h8-11,14-15,21H,4-7,12-13H2,1-3H3
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| InChIKey |
YHRNVXAUNZJNND-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