General Information of the Compound
| Compound ID |
CP0535604
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| Compound Name |
US8772304, 7
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| Structure |
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| Formula |
C22H22N6O2
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| Molecular Weight |
402.458
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| Canonical SMILES |
COC(=O)c1cccnc1-c1nc2cc(ccc2n1C(C)(C)C)-c1cnc(N)nc1
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| InChI |
InChI=1S/C22H22N6O2/c1-22(2,3)28-17-8-7-13(14-11-25-21(23)26-12-14)10-16(17)27-19(28)18-15(20(29)30-4)6-5-9-24-18/h5-12H,1-4H3,(H2,23,25,26)
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| InChIKey |
OYOXDRLGJIXDMU-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