General Information of the Compound
| Compound ID |
CP0399361
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| Compound Name |
1-[[5-(5-ethylsulfonyl-2-methoxyphenyl)-1H-pyrrol-2-yl]methyl]-2-phenylpiperidine
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| Structure |
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| Formula |
C25H30N2O3S
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| Molecular Weight |
438.593
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| Canonical SMILES |
CCS(=O)(=O)c1ccc(OC)c(c1)-c1ccc(CN2CCCCC2c2ccccc2)[nH]1
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| InChI |
InChI=1S/C25H30N2O3S/c1-3-31(28,29)21-13-15-25(30-2)22(17-21)23-14-12-20(26-23)18-27-16-8-7-11-24(27)19-9-5-4-6-10-19/h4-6,9-10,12-15,17,24,26H,3,7-8,11,16,18H2,1-2H3
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| InChIKey |
SKMONACLVOEHQQ-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