General Information of the Compound
| Compound ID |
CP0375064
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| Compound Name |
N-butyl-1-(2,4-dichlorophenyl)-5-(5-hex-1-ynylthiophen-2-yl)-4-methylpyrazole-3-carboxamide
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| Structure |
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| Formula |
C25H27Cl2N3OS
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| Molecular Weight |
488.484
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| Canonical SMILES |
CCCCNC(=O)c1nn(c(c1C)-c1ccc(s1)C#CCCCC)-c1ccc(Cl)cc1Cl
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| InChI |
InChI=1S/C25H27Cl2N3OS/c1-4-6-8-9-10-19-12-14-22(32-19)24-17(3)23(25(31)28-15-7-5-2)29-30(24)21-13-11-18(26)16-20(21)27/h11-14,16H,4-8,15H2,1-3H3,(H,28,31)
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| InChIKey |
RYCHPZDRERWDKZ-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: PT01298, Cannabinoid receptor 1
Protein ID: PT00834, Cannabinoid receptor 2