General Information of the Compound
| Compound ID |
CP0526505
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| Compound Name |
methyl (2S)-3-[4-(furan-3-yl)phenyl]-2-[[9-(hydroxyamino)-9-oxononanoyl]amino]propanoate
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| Structure |
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| Formula |
C23H30N2O6
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| Molecular Weight |
430.501
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| Canonical SMILES |
COC(=O)[C@H](Cc1ccc(cc1)-c1ccoc1)NC(=O)CCCCCCCC(=O)NO
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| InChI |
InChI=1S/C23H30N2O6/c1-30-23(28)20(15-17-9-11-18(12-10-17)19-13-14-31-16-19)24-21(26)7-5-3-2-4-6-8-22(27)25-29/h9-14,16,20,29H,2-8,15H2,1H3,(H,24,26)(H,25,27)/t20-/m0/s1
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| InChIKey |
ODCIIESFMJONKX-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
Protein ID: PT00991, Histone deacetylase 1
Protein ID: PT01213, Histone deacetylase 6
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000017 | HeLa | Homo sapiens (Human) | 1 |
| 1 |
IC50 = 21000 nM
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TI
LI
LO
TS
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| CL000243 | MCF-10A | Homo sapiens (Human) | 1 |
| 1 |
IC50 = 44000 nM
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TI
LI
LO
TS
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