General Information of the Compound
| Compound ID |
CP0550316
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| Compound Name |
US8772304, 19
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| Structure |
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| Formula |
C20H19BrN6
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| Molecular Weight |
423.318
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| Canonical SMILES |
CC(C)(C)n1c(nc2cc(ccc12)-c1cnc(N)nc1)-c1ccnc(Br)c1
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| InChI |
InChI=1S/C20H19BrN6/c1-20(2,3)27-16-5-4-12(14-10-24-19(22)25-11-14)8-15(16)26-18(27)13-6-7-23-17(21)9-13/h4-11H,1-3H3,(H2,22,24,25)
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| InChIKey |
RWVSVDXVRVHMQL-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