General Information of the Compound
| Compound ID |
CP0467013
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| Compound Name |
N-[[5-(5-ethylsulfonyl-2-methoxyphenyl)-1H-pyrrol-2-yl]methyl]-N-[(2-methylphenyl)methyl]ethanamine
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| Structure |
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| Formula |
C24H30N2O3S
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| Molecular Weight |
426.582
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| Canonical SMILES |
CCN(Cc1ccc([nH]1)-c1cc(ccc1OC)S(=O)(=O)CC)Cc1ccccc1C
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| InChI |
InChI=1S/C24H30N2O3S/c1-5-26(16-19-10-8-7-9-18(19)3)17-20-11-13-23(25-20)22-15-21(30(27,28)6-2)12-14-24(22)29-4/h7-15,25H,5-6,16-17H2,1-4H3
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| InChIKey |
DJYCHIVFEYCSOS-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