General Information of the Compound
| Compound ID |
CP0520536
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| Compound Name |
US9199981, F26
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| Structure |
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| Formula |
C23H22N6O4
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| Molecular Weight |
446.467
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| Canonical SMILES |
Cc1ccc(cc1NC(=O)c1cnc2ccccn12)-c1noc(CNC(=O)OC2(C)CC2)n1
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| InChI |
InChI=1S/C23H22N6O4/c1-14-6-7-15(20-27-19(33-28-20)13-25-22(31)32-23(2)8-9-23)11-16(14)26-21(30)17-12-24-18-5-3-4-10-29(17)18/h3-7,10-12H,8-9,13H2,1-2H3,(H,25,31)(H,26,30)
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| InChIKey |
UUHURBSCNYMVOQ-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