General Information of the Compound
| Compound ID |
CP0408676
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| Compound Name |
1-(1-adamantyl)-N-[5,6-bis(4-methylphenyl)pyridazin-3-yl]sulfanylmethanamine
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| Structure |
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| Formula |
C29H33N3S
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| Molecular Weight |
455.671
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| Canonical SMILES |
Cc1ccc(cc1)-c1cc(SNCC23CC4CC(CC(C4)C2)C3)nnc1-c1ccc(C)cc1
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| InChI |
InChI=1S/C29H33N3S/c1-19-3-7-24(8-4-19)26-14-27(31-32-28(26)25-9-5-20(2)6-10-25)33-30-18-29-15-21-11-22(16-29)13-23(12-21)17-29/h3-10,14,21-23,30H,11-13,15-18H2,1-2H3
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| InChIKey |
RLVUGQADQDVGFU-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