General Information of the Compound
| Compound ID |
CP0408367
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| Compound Name |
N-[5,6-bis(4-methylphenyl)pyridazin-3-yl]sulfanyl-1-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)methanamine
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| Structure |
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| Formula |
C29H35N3S
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| Molecular Weight |
457.687
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| Canonical SMILES |
Cc1ccc(cc1)-c1cc(SNCC2C3(C)CCC(C3)C2(C)C)nnc1-c1ccc(C)cc1
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| InChI |
InChI=1S/C29H35N3S/c1-19-6-10-21(11-7-19)24-16-26(31-32-27(24)22-12-8-20(2)9-13-22)33-30-18-25-28(3,4)23-14-15-29(25,5)17-23/h6-13,16,23,25,30H,14-15,17-18H2,1-5H3
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| InChIKey |
ZHNRLVZXMRMRQB-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