General Information of the Compound
| Compound ID |
CP0747814
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| Compound Name |
4-((3-ethoxy-5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)(hexyloxyimino)methyl)benzoic acid
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| Structure |
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| Formula |
C30H41NO4
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| Molecular Weight |
479.661
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| Canonical SMILES |
CCCCCCO/N=C(\c1ccc(C(=O)O)cc1)c1cc2c(cc1OCC)C(C)(C)CCC2(C)C
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| InChI |
InChI=1S/C30H41NO4/c1-7-9-10-11-18-35-31-27(21-12-14-22(15-13-21)28(32)33)23-19-24-25(20-26(23)34-8-2)30(5,6)17-16-29(24,3)4/h12-15,19-20H,7-11,16-18H2,1-6H3,(H,32,33)/b31-27+
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| InChIKey |
DHQJRPBCXJYOKE-TVKQRKNISA-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