General Information of the Compound
| Compound ID |
CP0431478
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| Compound Name |
N-hydroxy-4-[2-[[1-(naphthalen-2-ylamino)isoquinolin-7-yl]amino]-2-oxoethoxy]benzamide
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| Structure |
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| Formula |
C28H22N4O4
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| Molecular Weight |
478.508
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| Canonical SMILES |
ONC(=O)c1ccc(OCC(=O)Nc2ccc3ccnc(Nc4ccc5ccccc5c4)c3c2)cc1
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| InChI |
InChI=1S/C28H22N4O4/c33-26(17-36-24-11-7-20(8-12-24)28(34)32-35)30-23-10-6-19-13-14-29-27(25(19)16-23)31-22-9-5-18-3-1-2-4-21(18)15-22/h1-16,35H,17H2,(H,29,31)(H,30,33)(H,32,34)
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| InChIKey |
BNIFJWDIXPWDLC-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: PT00995, Histone deacetylase 3
Protein ID: PT01213, Histone deacetylase 6