General Information of the Compound
| Compound ID |
CP0442665
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| Compound Name |
US9169260, 133
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| Structure |
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| Formula |
C25H22N6O3
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| Molecular Weight |
454.49
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| Canonical SMILES |
COc1ccc(cc1OC)-c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(C)cc1
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| InChI |
InChI=1S/C25H22N6O3/c1-16-5-8-18(9-6-16)31-23(28-25(32)19-15-27-30-12-4-11-26-24(19)30)14-20(29-31)17-7-10-21(33-2)22(13-17)34-3/h4-15H,1-3H3,(H,28,32)
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| InChIKey |
MFLVQYMBSDNMJL-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