General Information of the Compound
| Compound ID |
CP0532580
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| Compound Name |
US8835470, 22
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| Structure |
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| Formula |
C23H17F3N4O6
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| Molecular Weight |
502.405
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| Canonical SMILES |
OC(C(=O)NCCC(O)=O)c1ccc(cc1)-c1noc(n1)-c1onc(c1C(F)(F)F)-c1ccccc1
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| InChI |
InChI=1S/C23H17F3N4O6/c24-23(25,26)16-17(12-4-2-1-3-5-12)29-35-19(16)22-28-20(30-36-22)14-8-6-13(7-9-14)18(33)21(34)27-11-10-15(31)32/h1-9,18,33H,10-11H2,(H,27,34)(H,31,32)
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| InChIKey |
MHLZPTDZPGZIGS-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