General Information of the Compound
| Compound ID |
CP0408682
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| Compound Name |
5,6-bis(4-methylphenyl)-N-(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)pyridazine-3-sulfonamide
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| Structure |
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| Formula |
C28H33N3O2S
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| Molecular Weight |
475.658
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| Canonical SMILES |
CC1C2CC(CC1NS(=O)(=O)c1cc(-c3ccc(C)cc3)c(nn1)-c1ccc(C)cc1)C2(C)C
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| InChI |
InChI=1S/C28H33N3O2S/c1-17-6-10-20(11-7-17)23-16-26(29-30-27(23)21-12-8-18(2)9-13-21)34(32,33)31-25-15-22-14-24(19(25)3)28(22,4)5/h6-13,16,19,22,24-25,31H,14-15H2,1-5H3
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| InChIKey |
USRBJBHGHUIIHV-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