General Information of the Compound
Compound ID |
CP0396949
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Compound Name |
N-(1-adamantyl)-1-(3,4-dichlorophenyl)-4-methyl-5-pyrrol-1-ylpyrazole-3-carboxamide
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Structure |
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Formula |
C25H26Cl2N4O
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Molecular Weight |
469.416
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Canonical SMILES |
Cc1c(nn(c1-n1cccc1)-c1ccc(Cl)c(Cl)c1)C(=O)NC12CC3CC(CC(C3)C1)C2
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InChI |
InChI=1S/C25H26Cl2N4O/c1-15-22(23(32)28-25-12-16-8-17(13-25)10-18(9-16)14-25)29-31(24(15)30-6-2-3-7-30)19-4-5-20(26)21(27)11-19/h2-7,11,16-18H,8-10,12-14H2,1H3,(H,28,32)
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InChIKey |
HBYVKAXKMOLOJA-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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: PT01298, Cannabinoid receptor 1
Protein ID: PT00834, Cannabinoid receptor 2