General Information of the Compound
| Compound ID |
CP0098362
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| Compound Name |
US10501467, Example 2
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| Structure |
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| Formula |
C13H11N3O
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| Molecular Weight |
225.251
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| Canonical SMILES |
O=c1[nH]nc2CCCc3[nH]c4cccc1c4c23
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| InChI |
InChI=1S/C13H11N3O/c17-13-7-3-1-4-8-11(7)12-9(14-8)5-2-6-10(12)15-16-13/h1,3-4,14H,2,5-6H2,(H,16,17)
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| InChIKey |
GGJVOTFHPYZESL-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