General Information of the Compound
| Compound ID |
CP0424183
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| Compound Name |
US9062070, 16
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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(C1CCc2nc(ccc12)-n1cnnn1)N1CCN2C[C@@H](OC[C@H]2C1)c1ccc2C(=O)OCCc2c1
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| InChI |
InChI=1S/C26H27N7O4/c34-25(21-3-5-22-20(21)4-6-24(28-22)33-15-27-29-30-33)32-9-8-31-13-23(37-14-18(31)12-32)17-1-2-19-16(11-17)7-10-36-26(19)35/h1-2,4,6,11,15,18,21,23H,3,5,7-10,12-14H2/t18-,21?,23-/m1/s1
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| InChIKey |
PZWNEYCWBFFMFA-DDVMIGOSSA-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