General Information of the Compound
| Compound ID |
CP0658708
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| Compound Name |
4-(3,5,5,8,8-pentamethyl-4-nitro-5,6,7,8-tetrahydronaphthalene-2-carbonyl)benzoic acid
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| Structure |
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| Formula |
C23H25NO5
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| Molecular Weight |
395.455
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| Canonical SMILES |
Cc1c(C(=O)c2ccc(C(=O)O)cc2)cc2c(c1[N+](=O)[O-])C(C)(C)CCC2(C)C
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| InChI |
InChI=1S/C23H25NO5/c1-13-16(20(25)14-6-8-15(9-7-14)21(26)27)12-17-18(19(13)24(28)29)23(4,5)11-10-22(17,2)3/h6-9,12H,10-11H2,1-5H3,(H,26,27)
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| InChIKey |
DVNBDYVYHSNHNJ-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