General Information of the Compound
| Compound ID |
CP0563889
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| Compound Name |
US9062070, 45
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| Structure |
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| Formula |
C26H27N7O4
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| Molecular Weight |
501.547
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| Canonical SMILES |
O=C(C1CCc2cc(ncc12)-n1cnnn1)N1CCN2C[C@H](OC[C@@H]2C1)c1ccc2C(=O)OCCc2c1
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| InChI |
InChI=1S/C26H27N7O4/c34-25(21-4-1-16-10-24(27-11-22(16)21)33-15-28-29-30-33)32-7-6-31-13-23(37-14-19(31)12-32)18-2-3-20-17(9-18)5-8-36-26(20)35/h2-3,9-11,15,19,21,23H,1,4-8,12-14H2/t19-,21?,23-/m0/s1
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| InChIKey |
XFSSFMLIQRVLQD-LVRVKJESSA-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