General Information of the Compound
| Compound ID |
CP0534481
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| Compound Name |
N-[(2-chlorophenyl)methyl]-N-[[5-(5-ethylsulfonyl-2-methoxyphenyl)-1H-pyrrol-2-yl]methyl]ethanamine
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| Structure |
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| Formula |
C23H27ClN2O3S
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| Molecular Weight |
447
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| Canonical SMILES |
CCN(Cc1ccc([nH]1)-c1cc(ccc1OC)S(=O)(=O)CC)Cc1ccccc1Cl
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| InChI |
InChI=1S/C23H27ClN2O3S/c1-4-26(15-17-8-6-7-9-21(17)24)16-18-10-12-22(25-18)20-14-19(30(27,28)5-2)11-13-23(20)29-3/h6-14,25H,4-5,15-16H2,1-3H3
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| InChIKey |
PJYLRRSJBZGONV-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