General Information of the Compound
| Compound ID |
CP0479406
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| Compound Name |
US8993565, 59
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| Structure |
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| Formula |
C17H18F2N4O4
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| Molecular Weight |
380.351
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| Canonical SMILES |
COc1c(F)ccc(NC(=O)Cc2nc(cc(=O)[nH]2)N2CCOCC2)c1F
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| InChI |
InChI=1S/C17H18F2N4O4/c1-26-17-10(18)2-3-11(16(17)19)20-14(24)8-12-21-13(9-15(25)22-12)23-4-6-27-7-5-23/h2-3,9H,4-8H2,1H3,(H,20,24)(H,21,22,25)
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| InChIKey |
NUWAGCLTVYNCLK-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