General Information of the Compound
| Compound ID |
CP0521535
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| Compound Name |
US9200001, 2
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| Structure |
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| Formula |
C28H24N6O2
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| Molecular Weight |
476.54
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| Canonical SMILES |
COc1ccc(Cc2nc(C)nn2-c2cc(nc(C)n2)C#Cc2ccc3ccccc3n2)cc1OC
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| InChI |
InChI=1S/C28H24N6O2/c1-18-29-23(13-12-22-11-10-21-7-5-6-8-24(21)32-22)17-28(30-18)34-27(31-19(2)33-34)16-20-9-14-25(35-3)26(15-20)36-4/h5-11,14-15,17H,16H2,1-4H3
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| InChIKey |
RXYNVTWDZAMMKQ-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