General Information of the Compound
| Compound ID |
CP0579838
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| Compound Name |
US10308615, Example 34
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| Structure |
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| Formula |
C17H14N4O
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| Molecular Weight |
290.326
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| Canonical SMILES |
O=C(c1ccccc1)c1cnc(NCc2cccnc2)nc1
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| InChI |
InChI=1S/C17H14N4O/c22-16(14-6-2-1-3-7-14)15-11-20-17(21-12-15)19-10-13-5-4-8-18-9-13/h1-9,11-12H,10H2,(H,19,20,21)
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| InChIKey |
GPZIOKLXQPNWCJ-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