General Information of the Compound
| Compound ID |
CP0422483
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| Compound Name |
1-(4-chlorophenyl)-4-methyl-N-(piperidin-1-yl)-5-(1H-pyrrol-1-yl)-1H-pyrazole-3-carboxamide
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| Structure |
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| Formula |
C20H22ClN5O
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| Molecular Weight |
383.883
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| Canonical SMILES |
Cc1c(nn(c1-n1cccc1)-c1ccc(Cl)cc1)C(=O)NN1CCCCC1
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| InChI |
InChI=1S/C20H22ClN5O/c1-15-18(19(27)23-25-13-3-2-4-14-25)22-26(17-9-7-16(21)8-10-17)20(15)24-11-5-6-12-24/h5-12H,2-4,13-14H2,1H3,(H,23,27)
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| InChIKey |
QVRBOJREASCNET-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