General Information of the Compound
| Compound ID |
CP0386404
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| Compound Name |
2,3,8,9-tetrahydroxy-5-(3-nitrobenzyl)phenanthridin-6(5H)-one
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| Structure |
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| Formula |
C20H14N2O7
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| Molecular Weight |
394.339
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| Canonical SMILES |
Oc1cc2n(Cc3cccc(c3)[N+]([O-])=O)c(=O)c3cc(O)c(O)cc3c2cc1O
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| InChI |
InChI=1S/C20H14N2O7/c23-16-5-12-13-6-17(24)19(26)8-15(13)21(20(27)14(12)7-18(16)25)9-10-2-1-3-11(4-10)22(28)29/h1-8,23-26H,9H2
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| InChIKey |
FCQPHPQKBDBVLA-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