General Information of the Compound
| Compound ID |
CP0379528
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| Compound Name |
5-(4-chlorophenyl)-N-[2-[2-[[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbonyl]amino]ethylamino]ethyl]-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxamide
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| Structure |
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| Formula |
C38H31Cl6N7O2
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| Molecular Weight |
830.431
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| Canonical SMILES |
Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NCCNCCNC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
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| InChI |
InChI=1S/C38H31Cl6N7O2/c1-21-33(48-50(31-13-11-27(41)19-29(31)43)35(21)23-3-7-25(39)8-4-23)37(52)46-17-15-45-16-18-47-38(53)34-22(2)36(24-5-9-26(40)10-6-24)51(49-34)32-14-12-28(42)20-30(32)44/h3-14,19-20,45H,15-18H2,1-2H3,(H,46,52)(H,47,53)
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| InChIKey |
BAXHFHNXVCEHCG-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