General Information of the Compound
| Compound ID |
CP0513641
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| Compound Name |
methyl (2S)-3-[4-(furan-2-yl)phenyl]-2-[[8-(hydroxyamino)-8-oxooctanoyl]amino]propanoate
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| Structure |
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| Formula |
C22H28N2O6
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| Molecular Weight |
416.474
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| Canonical SMILES |
COC(=O)[C@H](Cc1ccc(cc1)-c1ccco1)NC(=O)CCCCCCC(=O)NO
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| InChI |
InChI=1S/C22H28N2O6/c1-29-22(27)18(23-20(25)8-4-2-3-5-9-21(26)24-28)15-16-10-12-17(13-11-16)19-7-6-14-30-19/h6-7,10-14,18,28H,2-5,8-9,15H2,1H3,(H,23,25)(H,24,26)/t18-/m0/s1
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| InChIKey |
WAPSTKVXYVONHV-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: PT01213, Histone deacetylase 6