General Information of the Compound
| Compound ID |
CP0530688
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| Compound Name |
1-(4-chloro-2-methylphenyl)-3,6,6-trimethyl-5,7-dihydroindazol-4-one
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| Structure |
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| Formula |
C17H19ClN2O
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| Molecular Weight |
302.805
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| Canonical SMILES |
Cc1nn(c2CC(C)(C)CC(=O)c12)-c1ccc(Cl)cc1C
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| InChI |
InChI=1S/C17H19ClN2O/c1-10-7-12(18)5-6-13(10)20-14-8-17(3,4)9-15(21)16(14)11(2)19-20/h5-7H,8-9H2,1-4H3
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| InChIKey |
YIZANQZQNWTPOP-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: PT01515, Mu-type opioid receptor
Protein ID: PT01549, Mu-type opioid receptor