General Information of the Compound
| Compound ID |
CP0470299
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| Compound Name |
US8609647, 77
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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 |
O=C(CC#N)N1CCCCC11CCN(C1)c1ncnc2[nH]ccc12
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| InChI |
InChI=1S/C17H20N6O/c18-7-3-14(24)23-9-2-1-5-17(23)6-10-22(11-17)16-13-4-8-19-15(13)20-12-21-16/h4,8,12H,1-3,5-6,9-11H2,(H,19,20,21)
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| InChIKey |
MWUAHRJDIAYTBA-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