General Information of the Compound
| Compound ID |
CP0922293
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| Compound Name |
2-Isopropyl-4-[[1-(2-phenylethyl)-4-piperidinyl]methoxy]-2Hpyrrolo[3,4-c]quinoline hydrochloride
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| Structure |
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| Formula |
C28H34ClN3O
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| Molecular Weight |
464.053
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| Canonical SMILES |
CC(C)n1cc2c(OCC3CCN(CCc4ccccc4)CC3)nc3ccccc3c2c1.Cl
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| InChI |
InChI=1S/C28H33N3O.ClH/c1-21(2)31-18-25-24-10-6-7-11-27(24)29-28(26(25)19-31)32-20-23-13-16-30(17-14-23)15-12-22-8-4-3-5-9-22;/h3-11,18-19,21,23H,12-17,20H2,1-2H3;1H
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| InChIKey |
QRWPABGZFBZACP-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