General Information of the Compound
| Compound ID |
CP0493137
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| Compound Name |
US10227295, Compound 11a
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| Structure |
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| Formula |
C18H17N3O4
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| Molecular Weight |
339.351
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| Canonical SMILES |
ONC(=O)c1ccc(CN2C(=O)N[C@@H](Cc3ccccc3)C2=O)cc1
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| InChI |
InChI=1S/C18H17N3O4/c22-16(20-25)14-8-6-13(7-9-14)11-21-17(23)15(19-18(21)24)10-12-4-2-1-3-5-12/h1-9,15,25H,10-11H2,(H,19,24)(H,20,22)/t15-/m0/s1
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| InChIKey |
UOMQYWKOSVYLAQ-HNNXBMFYSA-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