General Information of the Compound
| Compound ID |
CP0437373
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| Compound Name |
4-(6,7-Dimethoxy-4-nitro-1-oxo-1H-isoquinolin-2-yl)-butyric acid ethyl ester
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| Structure |
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| Formula |
C17H20N2O7
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| Molecular Weight |
364.354
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| Canonical SMILES |
CCOC(=O)CCCn1cc([N+]([O-])=O)c2cc(OC)c(OC)cc2c1=O
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| InChI |
InChI=1S/C17H20N2O7/c1-4-26-16(20)6-5-7-18-10-13(19(22)23)11-8-14(24-2)15(25-3)9-12(11)17(18)21/h8-10H,4-7H2,1-3H3
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| InChIKey |
NBWIRHZNJCBJTE-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