General Information of the Compound
| Compound ID |
CP0466276
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| Compound Name |
[(19S)-10,19-diethyl-7-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-19-yl] 2-[[8-(hydroxyamino)-8-oxooctanoyl]amino]acetate
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| Structure |
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| Formula |
C32H36N4O9
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| Molecular Weight |
620.659
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| Canonical SMILES |
CCc1c2Cn3c(cc4c(COC(=O)[C@@]4(CC)OC(=O)CNC(=O)CCCCCCC(=O)NO)c3=O)-c2nc2ccc(O)cc12
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| InChI |
InChI=1S/C32H36N4O9/c1-3-19-20-13-18(37)11-12-24(20)34-29-21(19)16-36-25(29)14-23-22(30(36)41)17-44-31(42)32(23,4-2)45-28(40)15-33-26(38)9-7-5-6-8-10-27(39)35-43/h11-14,37,43H,3-10,15-17H2,1-2H3,(H,33,38)(H,35,39)/t32-/m0/s1
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| InChIKey |
XQWDIRQVUDWCFW-YTTGMZPUSA-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
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000067 | HCT 116 | Homo sapiens (Human) | 1 |
| 1 |
IC50 = 30.47 nM
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| CL000068 | A-549 | Homo sapiens (Human) | 1 |
| 1 |
IC50 = 137.67 nM
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