General Information of the Compound
| Compound ID |
CP0380190
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| Compound Name |
US11046688, Example 28
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| Structure |
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| Formula |
C20H18N4O
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| Molecular Weight |
330.391
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| Canonical SMILES |
COc1ccc(Nc2cc3c(cccc3cn2)-c2cnn(C)c2)cc1
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| InChI |
InChI=1S/C20H18N4O/c1-24-13-15(12-22-24)18-5-3-4-14-11-21-20(10-19(14)18)23-16-6-8-17(25-2)9-7-16/h3-13H,1-2H3,(H,21,23)
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| InChIKey |
KWKZSUFOPXVEEN-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