General Information of the Compound
| Compound ID |
CP0516594
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| Compound Name |
US8609647, 18
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| Structure |
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| Formula |
C17H20N6O
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| Molecular Weight |
324.388
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| Canonical SMILES |
CC1CCC2(CCN2C(=O)CC#N)CN1c1ncnc2[nH]ccc12
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| InChI |
InChI=1S/C17H20N6O/c1-12-2-5-17(6-9-23(17)14(24)3-7-18)10-22(12)16-13-4-8-19-15(13)20-11-21-16/h4,8,11-12H,2-3,5-6,9-10H2,1H3,(H,19,20,21)
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| InChIKey |
SJUNGZYVBAAXHQ-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