General Information of the Compound
| Compound ID |
CP0438368
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| Compound Name |
N-[5,6-bis(4-methylphenyl)pyridazin-3-yl]sulfanyl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
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| Structure |
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| Formula |
C28H33N3S
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| Molecular Weight |
443.66
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| Canonical SMILES |
Cc1ccc(cc1)-c1cc(SNC2CC3CCC2(C)C3(C)C)nnc1-c1ccc(C)cc1
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| InChI |
InChI=1S/C28H33N3S/c1-18-6-10-20(11-7-18)23-17-25(29-30-26(23)21-12-8-19(2)9-13-21)32-31-24-16-22-14-15-28(24,5)27(22,3)4/h6-13,17,22,24,31H,14-16H2,1-5H3
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| InChIKey |
WIYXXXURJLHAGM-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