General Information of the Compound
| Compound ID |
CP0525200
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| Compound Name |
US9163015, 22
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| Structure |
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| Formula |
C13H8ClF3N4
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| Molecular Weight |
312.682
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| Canonical SMILES |
FC(F)(F)c1ccc(Nc2n[nH]c3cccnc23)cc1Cl
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| InChI |
InChI=1S/C13H8ClF3N4/c14-9-6-7(3-4-8(9)13(15,16)17)19-12-11-10(20-21-12)2-1-5-18-11/h1-6H,(H2,19,20,21)
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| InChIKey |
RSWJVYKEYFTSQT-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