General Information of the Compound
| Compound ID |
CP0514839
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| Compound Name |
(E)-3-[2-(2,4-dihydroxy-5-propan-2-ylbenzoyl)-1,3-dihydroisoindol-5-yl]-N-hydroxyprop-2-enamide
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| Formula |
C21H22N2O5
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| Molecular Weight |
382.416
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| Canonical SMILES |
CC(C)c1cc(C(=O)N2Cc3ccc(\C=C\C(=O)NO)cc3C2)c(O)cc1O
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| InChI |
InChI=1S/C21H22N2O5/c1-12(2)16-8-17(19(25)9-18(16)24)21(27)23-10-14-5-3-13(7-15(14)11-23)4-6-20(26)22-28/h3-9,12,24-25,28H,10-11H2,1-2H3,(H,22,26)/b6-4+
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| InChIKey |
PFHGIFRDCPUONW-GQCTYLIASA-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