General Information of the Compound
| Compound ID |
CP0430104
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| Compound Name |
2,4,4-trimethylpentyl 5-[(2,5-dihydroxyphenyl)methylamino]-2-hydroxybenzoate
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| Structure |
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| Formula |
C22H29NO5
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| Molecular Weight |
387.476
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| Canonical SMILES |
CC(COC(=O)c1cc(NCc2cc(O)ccc2O)ccc1O)CC(C)(C)C
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| InChI |
InChI=1S/C22H29NO5/c1-14(11-22(2,3)4)13-28-21(27)18-10-16(5-7-20(18)26)23-12-15-9-17(24)6-8-19(15)25/h5-10,14,23-26H,11-13H2,1-4H3
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| InChIKey |
HVEMMWIZVGSFPL-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