General Information of the Compound
| Compound ID |
CP0778823
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| Compound Name |
4-((2-(2,5-dimethylphenyl)hydrazono)(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)methyl)benzoic acid
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| Structure |
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| Formula |
C31H36N2O2
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| Molecular Weight |
468.641
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| Canonical SMILES |
Cc1ccc(C)c(N/N=C(\c2ccc(C(=O)O)cc2)c2cc3c(cc2C)C(C)(C)CCC3(C)C)c1
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| InChI |
InChI=1S/C31H36N2O2/c1-19-8-9-20(2)27(16-19)32-33-28(22-10-12-23(13-11-22)29(34)35)24-18-26-25(17-21(24)3)30(4,5)14-15-31(26,6)7/h8-13,16-18,32H,14-15H2,1-7H3,(H,34,35)/b33-28+
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| InChIKey |
KVNVWZJCHFIGPA-PJJLUWSFSA-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