General Information of the Compound
| Compound ID |
CP0440911
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| Compound Name |
N-[(3,4-dichlorophenyl)methyl]-1-(2,4-difluorophenyl)-4-methyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-3-carboxamide
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| Structure |
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| Formula |
C22H16Cl2F2N4O
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| Molecular Weight |
461.299
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| Canonical SMILES |
Cc1c(nn(c1-n1cccc1)-c1ccc(F)cc1F)C(=O)NCc1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C22H16Cl2F2N4O/c1-13-20(21(31)27-12-14-4-6-16(23)17(24)10-14)28-30(22(13)29-8-2-3-9-29)19-7-5-15(25)11-18(19)26/h2-11H,12H2,1H3,(H,27,31)
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| InChIKey |
AKWSLSBUPCXQOW-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