General Information of the Compound
| Compound ID |
CP0241529
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| Compound Name |
US9169260, 46
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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 |
Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCOCC1
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| InChI |
InChI=1S/C22H22N6O2/c1-15-3-5-17(6-4-15)28-20(13-19(26-28)16-7-11-30-12-8-16)25-22(29)18-14-24-27-10-2-9-23-21(18)27/h2-6,9-10,13-14,16H,7-8,11-12H2,1H3,(H,25,29)
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| InChIKey |
IIWSSBLXDDQWTO-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