General Information of the Compound
| Compound ID |
CP0472342
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| Compound Name |
US8853242, 114
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| Structure |
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| Formula |
C19H15F3N4O
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| Molecular Weight |
372.35
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| Canonical SMILES |
Cc1nc2ccc(cc2c(c1C)-c1c(F)cc(F)cc1F)C(=O)N=C(N)N
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| InChI |
InChI=1S/C19H15F3N4O/c1-8-9(2)25-15-4-3-10(18(27)26-19(23)24)5-12(15)16(8)17-13(21)6-11(20)7-14(17)22/h3-7H,1-2H3,(H4,23,24,26,27)
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| InChIKey |
XAVJTAQYWJVSJU-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