General Information of the Compound
| Compound ID |
CP0396909
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| Compound Name |
3-cyclopropyl-1-(2,4-dichlorophenyl)-6,6-dimethyl-5,7-dihydroindazol-4-one
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| Structure |
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| Formula |
C18H18Cl2N2O
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| Molecular Weight |
349.261
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| Canonical SMILES |
CC1(C)Cc2c(c(nn2-c2ccc(Cl)cc2Cl)C2CC2)C(=O)C1
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| InChI |
InChI=1S/C18H18Cl2N2O/c1-18(2)8-14-16(15(23)9-18)17(10-3-4-10)21-22(14)13-6-5-11(19)7-12(13)20/h5-7,10H,3-4,8-9H2,1-2H3
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| InChIKey |
MXTSGGCTZUXABK-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