General Information of the Compound
| Compound ID |
CP0450219
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| Compound Name |
US8802711, 66
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| Synonyms |
PMID25666693-Compound-14
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| Structure |
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| Formula |
C19H19FN4O
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| Molecular Weight |
338.386
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| Canonical SMILES |
Fc1ccccc1[C@@H]1CC[C@H](C1)NC(=O)Nc1cccc2[nH]ncc12
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| InChI |
InChI=1S/C19H19FN4O/c20-16-5-2-1-4-14(16)12-8-9-13(10-12)22-19(25)23-17-6-3-7-18-15(17)11-21-24-18/h1-7,11-13H,8-10H2,(H,21,24)(H2,22,23,25)/t12-,13-/m1/s1
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| InChIKey |
MNXPYZUSFURMKS-CHWSQXEVSA-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
Clinical Information about the Compound