General Information of the Compound
| Compound ID |
CP0491682
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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]heptanediamide
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| Structure |
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| Formula |
C27H34N2O8
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| Molecular Weight |
514.575
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| Canonical SMILES |
COc1cc2CC[C@H](NC(=O)CCCCCC(=O)NO)c3cc(=O)c(OC)ccc3-c2c(OC)c1OC
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| InChI |
InChI=1S/C27H34N2O8/c1-34-21-13-11-17-18(15-20(21)30)19(28-23(31)8-6-5-7-9-24(32)29-33)12-10-16-14-22(35-2)26(36-3)27(37-4)25(16)17/h11,13-15,19,33H,5-10,12H2,1-4H3,(H,28,31)(H,29,32)/t19-/m0/s1
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| InChIKey |
CDDOIYGOWWHPGF-IBGZPJMESA-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