General Information of the Compound
| Compound ID |
CP0428790
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| Compound Name |
1-N-(2-aminophenyl)-3-N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]benzene-1,3-dicarboxamide
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| Structure |
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| Formula |
C34H33N3O7
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| Molecular Weight |
595.652
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| Canonical SMILES |
COc1cc2CC[C@H](NC(=O)c3cccc(c3)C(=O)Nc3ccccc3N)c3cc(=O)c(OC)ccc3-c2c(OC)c1OC
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| InChI |
InChI=1S/C34H33N3O7/c1-41-28-15-13-22-23(18-27(28)38)25(14-12-19-17-29(42-2)31(43-3)32(44-4)30(19)22)36-33(39)20-8-7-9-21(16-20)34(40)37-26-11-6-5-10-24(26)35/h5-11,13,15-18,25H,12,14,35H2,1-4H3,(H,36,39)(H,37,40)/t25-/m0/s1
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| InChIKey |
SBVUMVNNMLZQMY-VWLOTQADSA-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: PT00835, Histone deacetylase 2
Protein ID: PT00995, Histone deacetylase 3