General Information of the Compound
| Compound ID |
CP0375111
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| Compound Name |
N'-hydroxy-N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]hexanediamide
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| Structure |
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| Formula |
C26H32N2O8
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| Molecular Weight |
500.548
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| Canonical SMILES |
COc1cc2CC[C@H](NC(=O)CCCCC(=O)NO)c3cc(=O)c(OC)ccc3-c2c(OC)c1OC
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| InChI |
InChI=1S/C26H32N2O8/c1-33-20-12-10-16-17(14-19(20)29)18(27-22(30)7-5-6-8-23(31)28-32)11-9-15-13-21(34-2)25(35-3)26(36-4)24(15)16/h10,12-14,18,32H,5-9,11H2,1-4H3,(H,27,30)(H,28,31)/t18-/m0/s1
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| InChIKey |
BABGDAWTRPMGMJ-SFHVURJKSA-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
Protein ID: PT00991, Histone deacetylase 1
Protein ID: PT00995, Histone deacetylase 3
Protein ID: PT01213, Histone deacetylase 6