General Information of the Compound
| Compound ID |
CP0474072
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| Compound Name |
4-[[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbonyl]amino]-N-propan-2-ylpiperidine-1-carboxamide
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| Structure |
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| Formula |
C26H28Cl3N5O2
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| Molecular Weight |
548.902
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| Canonical SMILES |
CC(C)NC(=O)N1CCC(CC1)NC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
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| InChI |
InChI=1S/C26H28Cl3N5O2/c1-15(2)30-26(36)33-12-10-20(11-13-33)31-25(35)23-16(3)24(17-4-6-18(27)7-5-17)34(32-23)22-9-8-19(28)14-21(22)29/h4-9,14-15,20H,10-13H2,1-3H3,(H,30,36)(H,31,35)
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| InChIKey |
DRJXFKKXQMFPPG-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