General Information of the Compound
| Compound ID |
CP0495495
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| Compound Name |
US9163015, 61
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| Structure |
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| Formula |
C16H18N4
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| Molecular Weight |
266.348
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| Canonical SMILES |
CC(C)(C)c1cccc(Nc2n[nH]c3cccnc23)c1
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| InChI |
InChI=1S/C16H18N4/c1-16(2,3)11-6-4-7-12(10-11)18-15-14-13(19-20-15)8-5-9-17-14/h4-10H,1-3H3,(H2,18,19,20)
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| InChIKey |
ARPNTBIJGIBFLQ-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