General Information of the Compound
| Compound ID |
CP0413554
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| Compound Name |
US9315498, 31
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| Structure |
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| Formula |
C16H16N4O2
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| Molecular Weight |
296.33
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| Canonical SMILES |
Cn1cc(cn1)C#Cc1ccc(nc1)N1CC(C)(C)OC1=O
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| InChI |
InChI=1S/C16H16N4O2/c1-16(2)11-20(15(21)22-16)14-7-6-12(8-17-14)4-5-13-9-18-19(3)10-13/h6-10H,11H2,1-3H3
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| InChIKey |
ZYIPQBOVIIOMAE-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