General Information of the Compound
| Compound ID |
CP0336202
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| Compound Name |
[4-[2-[4-[(2-methylpyrrolo[3,4-c]quinolin-4-yl)oxymethyl]piperidin-1-yl]ethyl]phenyl]methanol
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| Structure |
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| Formula |
C27H31N3O2
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| Molecular Weight |
429.564
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| Canonical SMILES |
Cn1cc2c(OCC3CCN(CCc4ccc(CO)cc4)CC3)nc3ccccc3c2c1
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| InChI |
InChI=1S/C27H31N3O2/c1-29-16-24-23-4-2-3-5-26(23)28-27(25(24)17-29)32-19-22-11-14-30(15-12-22)13-10-20-6-8-21(18-31)9-7-20/h2-9,16-17,22,31H,10-15,18-19H2,1H3
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| InChIKey |
KVVCXQIQAOOKFF-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: PT01307, 5-hydroxytryptamine receptor 4