General Information of the Compound
| Compound ID |
CP0450754
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| Compound Name |
US8993565, 52
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| Structure |
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| Formula |
C19H21FN4O3
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| Molecular Weight |
372.4
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| Canonical SMILES |
Fc1ccc(NC(=O)Cc2nc(cc(=O)[nH]2)N2CCOCC2)cc1C1CC1
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| InChI |
InChI=1S/C19H21FN4O3/c20-15-4-3-13(9-14(15)12-1-2-12)21-18(25)10-16-22-17(11-19(26)23-16)24-5-7-27-8-6-24/h3-4,9,11-12H,1-2,5-8,10H2,(H,21,25)(H,22,23,26)
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| InChIKey |
OZZWAAOZGJCBIB-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