General Information of the Compound
| Compound ID |
CP0578996
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| Compound Name |
US9586948, Example 14
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| Structure |
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| Formula |
C17H15N5O2
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| Molecular Weight |
321.34
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| Canonical SMILES |
Cn1cc(NC(=O)c2cccc(n2)-c2ccccc2)c(n1)C(N)=O
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| InChI |
InChI=1S/C17H15N5O2/c1-22-10-14(15(21-22)16(18)23)20-17(24)13-9-5-8-12(19-13)11-6-3-2-4-7-11/h2-10H,1H3,(H2,18,23)(H,20,24)
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| InChIKey |
RGGAGGMXJXEHOY-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