General Information of the Compound
| Compound ID |
CP0410194
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| Compound Name |
1-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbonyl]-4-(ethylamino)piperidine-4-carboxamide
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| Structure |
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| Formula |
C25H26Cl3N5O2
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| Molecular Weight |
534.875
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| Canonical SMILES |
CCNC1(CCN(CC1)C(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(N)=O
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| InChI |
InChI=1S/C25H26Cl3N5O2/c1-3-30-25(24(29)35)10-12-32(13-11-25)23(34)21-15(2)22(16-4-6-17(26)7-5-16)33(31-21)20-9-8-18(27)14-19(20)28/h4-9,14,30H,3,10-13H2,1-2H3,(H2,29,35)
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| InChIKey |
DUWHBNLZCXTBMM-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