General Information of the Compound
| Compound ID |
CP0121028
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| Compound Name |
US10501467, Example 55
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| Structure |
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| Formula |
C13H11FN4O
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| Molecular Weight |
258.256
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| Canonical SMILES |
CN1Cc2[nH]c3cc(F)cc4c3c2c(C1)n[nH]c4=O
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| InChI |
InChI=1S/C13H11FN4O/c1-18-4-9-12-10(5-18)16-17-13(19)7-2-6(14)3-8(15-9)11(7)12/h2-3,15H,4-5H2,1H3,(H,17,19)
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| InChIKey |
WCIQJLFUQLNEJQ-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