General Information of the Compound
| Compound ID |
CP0257737
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| Compound Name |
US8598210, Table XV, 18
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| Structure |
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| Formula |
C16H13N3O4
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| Molecular Weight |
311.297
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| Canonical SMILES |
COC(=O)CNC(=O)c1ncc(cc1O)-c1cccc(c1)C#N
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| InChI |
InChI=1S/C16H13N3O4/c1-17-12-5-3-4-10(6-12)11-7-13(20)15(18-8-11)16(22)19-9-14(21)23-2/h3-8,20H,9H2,2H3,(H,19,22)
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| InChIKey |
UAWDTSDYMRFDAE-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