General Information of the Compound
| Compound ID |
CP0390565
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| Compound Name |
N-[(4-chlorophenyl)methyl]-1-(2,4-difluorophenyl)-5-(2,5-dimethylpyrrol-1-yl)-4-methylpyrazole-3-carboxamide
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| Structure |
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| Formula |
C24H21ClF2N4O
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| Molecular Weight |
454.908
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| Canonical SMILES |
Cc1ccc(C)n1-c1c(C)c(nn1-c1ccc(F)cc1F)C(=O)NCc1ccc(Cl)cc1
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| InChI |
InChI=1S/C24H21ClF2N4O/c1-14-4-5-15(2)30(14)24-16(3)22(23(32)28-13-17-6-8-18(25)9-7-17)29-31(24)21-11-10-19(26)12-20(21)27/h4-12H,13H2,1-3H3,(H,28,32)
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| InChIKey |
KKJGXDVXJITZGR-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