General Information of the Compound
| Compound ID |
CP0121032
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| Compound Name |
US10501467, Example 45
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| Structure |
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| Formula |
C15H16N4O
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| Molecular Weight |
268.32
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| Canonical SMILES |
CC(C)N1Cc2[nH]c3cccc4c3c2c(C1)n[nH]c4=O
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| InChI |
InChI=1S/C15H16N4O/c1-8(2)19-6-11-14-12(7-19)17-18-15(20)9-4-3-5-10(16-11)13(9)14/h3-5,8,16H,6-7H2,1-2H3,(H,18,20)
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| InChIKey |
PZDZBZWWQUDTKX-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