General Information of the Compound
| Compound ID |
CP0213538
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| Compound Name |
N-hydroxy-2-[[5-(3-nitrophenyl)furan-2-yl]methyl]-3,4-dihydro-1H-isoquinoline-7-carboxamide
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| Structure |
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| Formula |
C21H19N3O5
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| Molecular Weight |
393.399
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| Canonical SMILES |
ONC(=O)c1ccc2CCN(Cc3ccc(o3)-c3cccc(c3)[N+]([O-])=O)Cc2c1
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| InChI |
InChI=1S/C21H19N3O5/c25-21(22-26)16-5-4-14-8-9-23(12-17(14)10-16)13-19-6-7-20(29-19)15-2-1-3-18(11-15)24(27)28/h1-7,10-11,26H,8-9,12-13H2,(H,22,25)
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| InChIKey |
PMFDRULHDRRWFP-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