General Information of the Compound
| Compound ID |
CP0470173
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| Compound Name |
US9133168, Example 12b
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| Structure |
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| Formula |
C19H15FN4O2
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| Molecular Weight |
350.353
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| Canonical SMILES |
Fc1cccc2N(CCc12)C(=O)Cc1nc(cc(=O)[nH]1)-c1ccncc1
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| InChI |
InChI=1S/C19H15FN4O2/c20-14-2-1-3-16-13(14)6-9-24(16)19(26)11-17-22-15(10-18(25)23-17)12-4-7-21-8-5-12/h1-5,7-8,10H,6,9,11H2,(H,22,23,25)
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| InChIKey |
YAPONISIEWMFHL-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