General Information of the Compound
| Compound ID |
CP0545673
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| Compound Name |
US8829200, 34
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| Structure |
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| Formula |
C23H23FN6O
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| Molecular Weight |
418.476
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| Canonical SMILES |
CNC(=O)c1cccc(F)c1-c1nc2cc(ccc2n1C(C)(C)C)-c1cnc(N)nc1
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| InChI |
InChI=1S/C23H23FN6O/c1-23(2,3)30-18-9-8-13(14-11-27-22(25)28-12-14)10-17(18)29-20(30)19-15(21(31)26-4)6-5-7-16(19)24/h5-12H,1-4H3,(H,26,31)(H2,25,27,28)
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| InChIKey |
LMWRYQNSVAVXPG-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