General Information of the Compound
| Compound ID |
CP0550158
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| Compound Name |
US8772304, 12
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| Structure |
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| Formula |
C20H20N6
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| Molecular Weight |
344.422
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| Canonical SMILES |
CC(C)(C)n1c(nc2cc(ccc12)-c1cnc(N)nc1)-c1ccccn1
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| InChI |
InChI=1S/C20H20N6/c1-20(2,3)26-17-8-7-13(14-11-23-19(21)24-12-14)10-16(17)25-18(26)15-6-4-5-9-22-15/h4-12H,1-3H3,(H2,21,23,24)
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| InChIKey |
KXQABCVJSVWUGZ-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