General Information of the Compound
| Compound ID |
CP0506917
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| Compound Name |
US8829200, 10
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| Structure |
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| Formula |
C24H20N8O
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| Molecular Weight |
436.479
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| Canonical SMILES |
CC(C)(C)n1c(nc2cc(ccc12)-c1cnc(N)nc1)-c1cc(ccc1C(=O)NC#N)C#N
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| InChI |
InChI=1S/C24H20N8O/c1-24(2,3)32-20-7-5-15(16-11-28-23(27)29-12-16)9-19(20)31-21(32)18-8-14(10-25)4-6-17(18)22(33)30-13-26/h4-9,11-12H,1-3H3,(H,30,33)(H2,27,28,29)
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| InChIKey |
ACNNVLDWLIRERT-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