General Information of the Compound
| Compound ID |
CP0379578
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| Compound Name |
1-(2,4-Dichlorophenyl)-5-(2,5-dimethyl-1H-pyrrol-1-yl)-N-(5-hydroxypentyl)-4-methyl-1H-pyrazole-3-carboxamide
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| Structure |
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| Formula |
C22H26Cl2N4O2
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| Molecular Weight |
449.382
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| Canonical SMILES |
Cc1ccc(C)n1-c1c(C)c(nn1-c1ccc(Cl)cc1Cl)C(=O)NCCCCCO
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| InChI |
InChI=1S/C22H26Cl2N4O2/c1-14-7-8-15(2)27(14)22-16(3)20(21(30)25-11-5-4-6-12-29)26-28(22)19-10-9-17(23)13-18(19)24/h7-10,13,29H,4-6,11-12H2,1-3H3,(H,25,30)
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| InChIKey |
RRKHFMZRDDPEFW-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