General Information of the Compound
| Compound ID |
CP0499921
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| Compound Name |
2-((2,3,8,9-tetrahydroxy-6-oxophenanthridin-5(6H)-yl)methyl)benzonitrile
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| Structure |
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| Formula |
C21H14N2O5
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| Molecular Weight |
374.352
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| Canonical SMILES |
Oc1cc2n(Cc3ccccc3C#N)c(=O)c3cc(O)c(O)cc3c2cc1O
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| InChI |
InChI=1S/C21H14N2O5/c22-9-11-3-1-2-4-12(11)10-23-16-8-20(27)18(25)6-14(16)13-5-17(24)19(26)7-15(13)21(23)28/h1-8,24-27H,10H2
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| InChIKey |
JQJWAAIAYLFFJN-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