General Information of the Compound
| Compound ID |
CP0848963
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| Compound Name |
4-(3-(2,2-difluoroethoxy)-5,5,8,8-tetramethyl-4-nitro-5,6,7,8-tetrahydronaphthalene-2-carbonyl)benzoic acid
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| Structure |
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| Formula |
C24H25F2NO6
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| Molecular Weight |
461.461
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| Canonical SMILES |
CC1(C)CCC(C)(C)c2c1cc(C(=O)c1ccc(C(=O)O)cc1)c(OCC(F)F)c2[N+](=O)[O-]
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| InChI |
InChI=1S/C24H25F2NO6/c1-23(2)9-10-24(3,4)18-16(23)11-15(21(19(18)27(31)32)33-12-17(25)26)20(28)13-5-7-14(8-6-13)22(29)30/h5-8,11,17H,9-10,12H2,1-4H3,(H,29,30)
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| InChIKey |
TZTZIUIOWUARPA-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