General Information of the Compound
| Compound ID |
CP0501840
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| Compound Name |
1-(2,4-Dichlorophenyl)-N-(3,3-dimethylbutyl)-4-methyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-3-carboxamide
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| Structure |
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| Formula |
C21H24Cl2N4O
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| Molecular Weight |
419.356
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| Canonical SMILES |
Cc1c(nn(c1-n1cccc1)-c1ccc(Cl)cc1Cl)C(=O)NCCC(C)(C)C
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| InChI |
InChI=1S/C21H24Cl2N4O/c1-14-18(19(28)24-10-9-21(2,3)4)25-27(20(14)26-11-5-6-12-26)17-8-7-15(22)13-16(17)23/h5-8,11-13H,9-10H2,1-4H3,(H,24,28)
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| InChIKey |
HAEKROWHXRTASV-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