General Information of the Compound
| Compound ID |
CP0500281
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| Compound Name |
N-[[1-methyl-1-(2-phenylethyl)piperidin-1-ium-4-yl]methyl]-1-propan-2-ylindazole-3-carboxamide;iodide
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| Structure |
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| Formula |
C26H35IN4O
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| Molecular Weight |
546.497
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| Canonical SMILES |
[I-].CC(C)n1nc(C(=O)NCC2CC[N+](C)(CCc3ccccc3)CC2)c2ccccc12
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| InChI |
InChI=1S/C26H34N4O.HI/c1-20(2)29-24-12-8-7-11-23(24)25(28-29)26(31)27-19-22-14-17-30(3,18-15-22)16-13-21-9-5-4-6-10-21;/h4-12,20,22H,13-19H2,1-3H3;1H
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| InChIKey |
DSFGXLVVCKUCLE-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