General Information of the Compound
| Compound ID |
CP0905765
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| Compound Name |
Octanedioic acid hydroxyamide((S)-1,2,3,10-tetramethoxy-9-oxo-5,6,7,9-tetrahydro-benzo[a]heptalen-7-yl)-amide
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| Structure |
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| Formula |
C28H36N2O8
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| Molecular Weight |
528.602
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| Canonical SMILES |
COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1[C@@H](NC(=O)CCCCCCC(=O)NO)CC2
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| InChI |
InChI=1S/C28H36N2O8/c1-35-22-14-12-18-19(16-21(22)31)20(29-24(32)9-7-5-6-8-10-25(33)30-34)13-11-17-15-23(36-2)27(37-3)28(38-4)26(17)18/h12,14-16,20,34H,5-11,13H2,1-4H3,(H,29,32)(H,30,33)/t20-/m0/s1
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| InChIKey |
OIBCAWLRNKTYRE-FQEVSTJZSA-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