General Information of the Compound
| Compound ID |
CP0549578
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| Compound Name |
(20S)-4-Ethyl-4-hydroxy-3,13-dioxo-3,4,12,13-tetrahydro-1H-2-oxa-6,12a-diaza-dibenzo[b,h]fluorene-9-carboxylic acid
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| Structure |
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| Formula |
C21H16N2O6
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| Molecular Weight |
392.367
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| Canonical SMILES |
CCC1(O)C(=O)OCc2c1cc1-c3nc4ccc(cc4cc3Cn1c2=O)C(O)=O
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| InChI |
InChI=1S/C21H16N2O6/c1-2-21(28)14-7-16-17-12(8-23(16)18(24)13(14)9-29-20(21)27)6-11-5-10(19(25)26)3-4-15(11)22-17/h3-7,28H,2,8-9H2,1H3,(H,25,26)
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| InChIKey |
SJEVFPQEARWJCK-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