General Information of the Compound
| Compound ID |
CP0410266
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| Compound Name |
4-(cycloheptylamino)sulfanyl-6-(4-methylphenyl)-2-[(4-methylphenyl)methyl]pyridazin-3-one
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| Structure |
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| Formula |
C26H31N3OS
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| Molecular Weight |
433.621
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| Canonical SMILES |
Cc1ccc(Cn2nc(cc(SNC3CCCCCC3)c2=O)-c2ccc(C)cc2)cc1
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| InChI |
InChI=1S/C26H31N3OS/c1-19-9-13-21(14-10-19)18-29-26(30)25(31-28-23-7-5-3-4-6-8-23)17-24(27-29)22-15-11-20(2)12-16-22/h9-17,23,28H,3-8,18H2,1-2H3
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| InChIKey |
FUWSOLKXJYIMMV-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