General Information of the Compound
| Compound ID |
CP0906206
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| Compound Name |
US9238651, A55
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| Structure |
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| Formula |
C25H25N7O
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| Molecular Weight |
439.523
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| Canonical SMILES |
CC(C)n1cc(-c2cnc3[nH]cc(-c4cc(C(C)(O)c5ccccc5)nc(N)n4)c3c2)cn1
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| InChI |
InChI=1S/C25H25N7O/c1-15(2)32-14-17(12-29-32)16-9-19-20(13-28-23(19)27-11-16)21-10-22(31-24(26)30-21)25(3,33)18-7-5-4-6-8-18/h4-15,33H,1-3H3,(H,27,28)(H2,26,30,31)
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| InChIKey |
JDBDJPSCRBWYRW-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