General Information of the Compound
| Compound ID |
CP0437826
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| Compound Name |
2-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-3H-[1]benzothiolo[2,3-c]pyrrol-1-one
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| Structure |
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| Formula |
C24H26N2O3S
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| Molecular Weight |
422.55
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| Canonical SMILES |
COc1ccc(cc1OCCN1CCCCC1)N1Cc2sc3ccccc3c2C1=O
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| InChI |
InChI=1S/C24H26N2O3S/c1-28-19-10-9-17(15-20(19)29-14-13-25-11-5-2-6-12-25)26-16-22-23(24(26)27)18-7-3-4-8-21(18)30-22/h3-4,7-10,15H,2,5-6,11-14,16H2,1H3
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| InChIKey |
IRBQSIACRBGJRT-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: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT01019, 5-hydroxytryptamine receptor 2B
Protein ID: PT00939, 5-hydroxytryptamine receptor 2C