General Information of the Compound
| Compound ID |
CP0410104
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| Compound Name |
5-(4-chlorophenyl)-N-[3-[3-[[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbonyl]amino]propylamino]propyl]-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxamide
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| Structure |
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| Formula |
C40H35Cl6N7O2
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| Molecular Weight |
858.485
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| Canonical SMILES |
Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NCCCNCCCNC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
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| InChI |
InChI=1S/C40H35Cl6N7O2/c1-23-35(50-52(33-15-13-29(43)21-31(33)45)37(23)25-5-9-27(41)10-6-25)39(54)48-19-3-17-47-18-4-20-49-40(55)36-24(2)38(26-7-11-28(42)12-8-26)53(51-36)34-16-14-30(44)22-32(34)46/h5-16,21-22,47H,3-4,17-20H2,1-2H3,(H,48,54)(H,49,55)
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| InChIKey |
XJGCZUXTCZYDGW-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