General Information of the Compound
| Compound ID |
CP0512227
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| Compound Name |
US8835470, 10
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| Structure |
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| Formula |
C24H17F3N6O5
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| Molecular Weight |
526.431
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| Canonical SMILES |
Cc1nnc(CNC(=O)C(O)c2ccc(cc2)-c2noc(n2)-c2onc(c2C(F)(F)F)-c2ccccc2)o1
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| InChI |
InChI=1S/C24H17F3N6O5/c1-12-30-31-16(36-12)11-28-22(35)19(34)14-7-9-15(10-8-14)21-29-23(38-33-21)20-17(24(25,26)27)18(32-37-20)13-5-3-2-4-6-13/h2-10,19,34H,11H2,1H3,(H,28,35)
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| InChIKey |
DSVUBNIUZPSVHV-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