General Information of the Compound
| Compound ID |
CP0852268
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| Compound Name |
N-[[1-(2-Cyclohexylethyl)-4-piperidinyl]methyl]-1-isopropyl-1Hindazole-3-carboxamide hydrochloride
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| Structure |
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| Formula |
C25H39ClN4O
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| Molecular Weight |
447.067
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| Canonical SMILES |
CC(C)n1nc(C(=O)NCC2CCN(CCC3CCCCC3)CC2)c2ccccc21.Cl
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| InChI |
InChI=1S/C25H38N4O.ClH/c1-19(2)29-23-11-7-6-10-22(23)24(27-29)25(30)26-18-21-13-16-28(17-14-21)15-12-20-8-4-3-5-9-20;/h6-7,10-11,19-21H,3-5,8-9,12-18H2,1-2H3,(H,26,30);1H
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| InChIKey |
BHIAJFATFHBQKD-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