General Information of the Compound
| Compound ID |
CP0444772
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| Compound Name |
7-methoxy-2-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-4-methyl-3H-pyrrolo[3,4-b]indol-1-one
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| Structure |
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| Formula |
C26H31N3O4
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| Molecular Weight |
449.551
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| Canonical SMILES |
COc1ccc2n(C)c3CN(C(=O)c3c2c1)c1ccc(OC)c(OCCN2CCCCC2)c1
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| InChI |
InChI=1S/C26H31N3O4/c1-27-21-9-8-19(31-2)16-20(21)25-22(27)17-29(26(25)30)18-7-10-23(32-3)24(15-18)33-14-13-28-11-5-4-6-12-28/h7-10,15-16H,4-6,11-14,17H2,1-3H3
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| InChIKey |
XOSWZTBZHAOGQX-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