General Information of the Compound
| Compound ID |
CP0569093
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| Compound Name |
US8829200, 27
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| Structure |
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| Formula |
C28H27N7O
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| Molecular Weight |
477.572
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| Canonical SMILES |
CN(C(=O)c1ccccc1-c1nc2cc(ccc2n1C(C)(C)C)-c1cnc(N)nc1)c1ccccn1
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| InChI |
InChI=1S/C28H27N7O/c1-28(2,3)35-23-13-12-18(19-16-31-27(29)32-17-19)15-22(23)33-25(35)20-9-5-6-10-21(20)26(36)34(4)24-11-7-8-14-30-24/h5-17H,1-4H3,(H2,29,31,32)
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| InChIKey |
UILLFQIJGKKBGC-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