General Information of the Compound
| Compound ID |
CP0283651
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| Compound Name |
US9169260, 31
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| Structure |
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| Formula |
C24H25N7O2
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| Molecular Weight |
443.511
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| Canonical SMILES |
CC(=O)N1CCC(CC1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(C)cc1
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| InChI |
InChI=1S/C24H25N7O2/c1-16-4-6-19(7-5-16)31-22(14-21(28-31)18-8-12-29(13-9-18)17(2)32)27-24(33)20-15-26-30-11-3-10-25-23(20)30/h3-7,10-11,14-15,18H,8-9,12-13H2,1-2H3,(H,27,33)
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| InChIKey |
BUFHCWTZVIARBW-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