General Information of the Compound
| Compound ID |
CP0527604
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| Compound Name |
N-butyl-1-(2,4-dichlorophenyl)-5-(2,5-dimethylpyrrol-1-yl)-4-methylpyrazole-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 |
CCCCNC(=O)c1nn(c(c1C)-n1c(C)ccc1C)-c1ccc(Cl)cc1Cl
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| InChI |
InChI=1S/C21H24Cl2N4O/c1-5-6-11-24-20(28)19-15(4)21(26-13(2)7-8-14(26)3)27(25-19)18-10-9-16(22)12-17(18)23/h7-10,12H,5-6,11H2,1-4H3,(H,24,28)
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| InChIKey |
BIYITNDKXCVEFF-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