General Information of the Compound
| Compound ID |
CP0550318
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| Compound Name |
US8772304, 26
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| Structure |
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| Formula |
C23H20N10
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| Molecular Weight |
436.483
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| Canonical SMILES |
CC(C)(C)n1c(nc2cc(ccc12)-c1cnc(N)nc1)-c1cc(cnc1-n1cncn1)C#N
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| InChI |
InChI=1S/C23H20N10/c1-23(2,3)33-19-5-4-15(16-10-28-22(25)29-11-16)7-18(19)31-21(33)17-6-14(8-24)9-27-20(17)32-13-26-12-30-32/h4-7,9-13H,1-3H3,(H2,25,28,29)
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| InChIKey |
LJQWUPDBJRODAK-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