General Information of the Compound
| Compound ID |
CP0363923
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| Compound Name |
(racemic)5'-(5-Ethanesulfonyl-2-methoxy-phenyl)-1-ethyl-2,3,4,5-tetrahydro-1H,1'H-[2,2']bipyrrolyl
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| Structure |
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| Formula |
C19H26N2O3S
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| Molecular Weight |
362.495
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| Canonical SMILES |
CCN1CCCC1c1ccc([nH]1)-c1cc(ccc1OC)S(=O)(=O)CC
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| InChI |
InChI=1S/C19H26N2O3S/c1-4-21-12-6-7-18(21)17-10-9-16(20-17)15-13-14(25(22,23)5-2)8-11-19(15)24-3/h8-11,13,18,20H,4-7,12H2,1-3H3
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| InChIKey |
PWMDANRQWZFAPB-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