General Information of the Compound
| Compound ID |
CP0421036
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| Compound Name |
4-(1-Benzyl-2,4-dioxo-1,4-dihydro-2H-1,3,4b,9-tetraaza-fluoren-3-yl)-but-2-enoic acid methyl ester
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| Structure |
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| Formula |
C21H18N4O4
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| Molecular Weight |
390.399
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| Canonical SMILES |
COC(=O)\C=C\Cn1c(=O)n(Cc2ccccc2)c2nc3ccccn3c2c1=O
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| InChI |
InChI=1S/C21H18N4O4/c1-29-17(26)11-7-13-24-20(27)18-19(22-16-10-5-6-12-23(16)18)25(21(24)28)14-15-8-3-2-4-9-15/h2-12H,13-14H2,1H3/b11-7+
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| InChIKey |
QMVIRIRZLGPOAA-YRNVUSSQSA-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