General Information of the Compound
| Compound ID |
CP0506955
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| Compound Name |
US8962612, 86
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| Structure |
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| Formula |
C19H18F2N4O
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| Molecular Weight |
356.376
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| Canonical SMILES |
NC(N)=NC(=O)N1Cc2c(ccc(F)c2C2(CC2)C1)-c1ccccc1F
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| InChI |
InChI=1S/C19H18F2N4O/c20-14-4-2-1-3-12(14)11-5-6-15(21)16-13(11)9-25(10-19(16)7-8-19)18(26)24-17(22)23/h1-6H,7-10H2,(H4,22,23,24,26)
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| InChIKey |
NTVDLKUJYXRVBA-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