General Information of the Compound
| Compound ID |
CP0393560
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| Compound Name |
US10028961, Compound 86
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| Structure |
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| Formula |
C17H21FN6O
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| Molecular Weight |
344.394
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| Canonical SMILES |
CC(C)CNc1nc(NC(C)(C)C#N)nc(n1)-c1cc(O)ccc1F
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| InChI |
InChI=1S/C17H21FN6O/c1-10(2)8-20-15-21-14(12-7-11(25)5-6-13(12)18)22-16(23-15)24-17(3,4)9-19/h5-7,10,25H,8H2,1-4H3,(H2,20,21,22,23,24)
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| InChIKey |
SXDPYZOSOGORMF-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