General Information of the Compound
| Compound ID |
CP0403111
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| Compound Name |
2-[4-methoxy-3-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]-3H-[1]benzothiolo[2,3-c]pyrrol-1-one
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| Structure |
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| Formula |
C25H28N2O3S
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| Molecular Weight |
436.577
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| Canonical SMILES |
COc1ccc(cc1OCCN1CCC(C)CC1)N1Cc2sc3ccccc3c2C1=O
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| InChI |
InChI=1S/C25H28N2O3S/c1-17-9-11-26(12-10-17)13-14-30-21-15-18(7-8-20(21)29-2)27-16-23-24(25(27)28)19-5-3-4-6-22(19)31-23/h3-8,15,17H,9-14,16H2,1-2H3
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| InChIKey |
PMLOBLMWKWWJRA-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