General Information of the Compound
| Compound ID |
CP0408755
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| Compound Name |
N-[5,6-bis(4-methylphenyl)pyridazin-3-yl]sulfanyl-5-methyl-2-propan-2-ylcyclohexan-1-amine
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| Structure |
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| Formula |
C28H35N3S
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| Molecular Weight |
445.676
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| Canonical SMILES |
CC(C)C1CCC(C)CC1NSc1cc(-c2ccc(C)cc2)c(nn1)-c1ccc(C)cc1
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| InChI |
InChI=1S/C28H35N3S/c1-18(2)24-15-10-21(5)16-26(24)31-32-27-17-25(22-11-6-19(3)7-12-22)28(30-29-27)23-13-8-20(4)9-14-23/h6-9,11-14,17-18,21,24,26,31H,10,15-16H2,1-5H3
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| InChIKey |
XMAGIMLIRKXFHY-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