General Information of the Compound
| Compound ID |
CP0469461
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| Compound Name |
tert-butyl N-[4-[3-[2-[3-(hydroxycarbamoyl)-1,2-oxazol-5-yl]ethylcarbamoyl]-1,2-oxazol-5-yl]phenyl]carbamate
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| Structure |
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| Formula |
C21H23N5O7
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| Molecular Weight |
457.443
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| Canonical SMILES |
CC(C)(C)OC(=O)Nc1ccc(cc1)-c1cc(no1)C(=O)NCCc1cc(no1)C(=O)NO
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| InChI |
InChI=1S/C21H23N5O7/c1-21(2,3)31-20(29)23-13-6-4-12(5-7-13)17-11-16(26-33-17)18(27)22-9-8-14-10-15(25-32-14)19(28)24-30/h4-7,10-11,30H,8-9H2,1-3H3,(H,22,27)(H,23,29)(H,24,28)
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| InChIKey |
RHGZKRZZDBBXMP-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: PT00991, Histone deacetylase 1
Protein ID: PT01213, Histone deacetylase 6