General Information of the Compound
| Compound ID |
CP0488825
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| Compound Name |
US9062070, 57
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| Structure |
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| Formula |
C25H25N7O4
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| Molecular Weight |
487.52
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| Canonical SMILES |
O=C(C1CCc2nc(ccc12)-n1cnnn1)N1CCN2C[C@H](OC[C@@H]2C1)c1ccc2C(=O)OCc2c1
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| InChI |
InChI=1S/C25H25N7O4/c33-24(20-3-5-21-19(20)4-6-23(27-21)32-14-26-28-29-32)31-8-7-30-11-22(35-13-17(30)10-31)15-1-2-18-16(9-15)12-36-25(18)34/h1-2,4,6,9,14,17,20,22H,3,5,7-8,10-13H2/t17-,20?,22-/m0/s1
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| InChIKey |
KWCOFABCDVCDID-BGKUMUJYSA-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