General Information of the Compound
| Compound ID |
CP0203287
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| Compound Name |
US9505765, 181
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| Structure |
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| Formula |
C16H20N4O2
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| Molecular Weight |
300.362
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| Canonical SMILES |
CC(C)COc1ncnc2[nH]cc(\C=C\C(=O)NC3CC3)c12
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| InChI |
InChI=1S/C16H20N4O2/c1-10(2)8-22-16-14-11(7-17-15(14)18-9-19-16)3-6-13(21)20-12-4-5-12/h3,6-7,9-10,12H,4-5,8H2,1-2H3,(H,20,21)(H,17,18,19)/b6-3+
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| InChIKey |
NTUWMPKGQOZJLQ-ZZXKWVIFSA-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