General Information of the Compound
| Compound ID |
CP0122947
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| Compound Name |
US8598210, Table XV, 24
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| Structure |
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| Formula |
C15H12N6O4
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| Molecular Weight |
340.299
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| Canonical SMILES |
OC(=O)CNC(=O)c1ncc(cc1O)-c1cccc(c1)-c1nnn[nH]1
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| InChI |
InChI=1S/C15H12N6O4/c22-11-5-10(6-16-13(11)15(25)17-7-12(23)24)8-2-1-3-9(4-8)14-18-20-21-19-14/h1-6,22H,7H2,(H,17,25)(H,23,24)(H,18,19,20,21)
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| InChIKey |
JCWZYUTUSRZUAB-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