General Information of the Compound
| Compound ID |
CP0489394
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| Compound Name |
tert-butyl N-[4-[5-[[7-(hydroxyamino)-7-oxoheptyl]carbamoyl]-1,3-thiazol-2-yl]phenyl]carbamate
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| Structure |
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| Formula |
C22H30N4O5S
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| Molecular Weight |
462.572
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| Canonical SMILES |
CC(C)(C)OC(=O)Nc1ccc(cc1)-c1ncc(s1)C(=O)NCCCCCCC(=O)NO
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| InChI |
InChI=1S/C22H30N4O5S/c1-22(2,3)31-21(29)25-16-11-9-15(10-12-16)20-24-14-17(32-20)19(28)23-13-7-5-4-6-8-18(27)26-30/h9-12,14,30H,4-8,13H2,1-3H3,(H,23,28)(H,25,29)(H,26,27)
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| InChIKey |
ZVGSGHLOZJHCBV-UHFFFAOYSA-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: PT01213, Histone deacetylase 6
Protein ID: PT01499, Histone deacetylase 8