General Information of the Compound
| Compound ID |
CP0490802
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| Compound Name |
US9199981, F23
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| Structure |
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| Formula |
C24H22N6O6
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| Molecular Weight |
490.476
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| Canonical SMILES |
COC(=O)N(C(=O)OC)C1(CC1)c1nc(no1)-c1ccc(C)c(NC(=O)c2cnc3ccccn23)c1
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| InChI |
InChI=1S/C24H22N6O6/c1-14-7-8-15(12-16(14)26-20(31)17-13-25-18-6-4-5-11-29(17)18)19-27-21(36-28-19)24(9-10-24)30(22(32)34-2)23(33)35-3/h4-8,11-13H,9-10H2,1-3H3,(H,26,31)
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| InChIKey |
KBQARZYCSSUVFQ-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