General Information of the Compound
| Compound ID |
CP0121370
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| Compound Name |
US9169260, 129
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| Structure |
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| Formula |
C23H19N7O2
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| Molecular Weight |
425.452
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| Canonical SMILES |
COc1cc(ccn1)-c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(C)cc1
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| InChI |
InChI=1S/C23H19N7O2/c1-15-4-6-17(7-5-15)30-20(13-19(28-30)16-8-10-24-21(12-16)32-2)27-23(31)18-14-26-29-11-3-9-25-22(18)29/h3-14H,1-2H3,(H,27,31)
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| InChIKey |
WFBXXYNYLVBTDR-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