General Information of the Compound
| Compound ID |
CP0436489
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| Compound Name |
N-ethyl-N-[[5-(5-ethylsulfonyl-2-methoxyphenyl)-1H-pyrrol-2-yl]methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
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| Structure |
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| Formula |
C26H32N2O3S
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| Molecular Weight |
452.62
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| Canonical SMILES |
CCN(Cc1ccc([nH]1)-c1cc(ccc1OC)S(=O)(=O)CC)C1CCCc2ccccc12
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| InChI |
InChI=1S/C26H32N2O3S/c1-4-28(25-12-8-10-19-9-6-7-11-22(19)25)18-20-13-15-24(27-20)23-17-21(32(29,30)5-2)14-16-26(23)31-3/h6-7,9,11,13-17,25,27H,4-5,8,10,12,18H2,1-3H3
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| InChIKey |
RBQRPADDWAFDFX-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