General Information of the Compound
| Compound ID |
CP0520546
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| Compound Name |
US9199981, F117
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| Structure |
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| Formula |
C23H22N6O3
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| Molecular Weight |
430.468
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| Canonical SMILES |
CO\N=C1\CCC(C1)c1nc(no1)-c1ccc(C)c(NC(=O)c2cnc3ccccn23)c1
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| InChI |
InChI=1S/C23H22N6O3/c1-14-6-7-15(21-26-23(32-28-21)16-8-9-17(11-16)27-31-2)12-18(14)25-22(30)19-13-24-20-5-3-4-10-29(19)20/h3-7,10,12-13,16H,8-9,11H2,1-2H3,(H,25,30)/b27-17-
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| InChIKey |
KULAGCRXZBSVQY-PKAZHMFMSA-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