General Information of the Compound
| Compound ID |
CP0526393
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| Compound Name |
US9012651, 106
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| Structure |
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| Formula |
C19H23F4N3O
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| Molecular Weight |
385.405
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| Canonical SMILES |
CC(C)[C@@H](NCc1nc(ccc1F)-c1ccc(nc1)C(F)(F)F)C(C)(C)O
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| InChI |
InChI=1S/C19H23F4N3O/c1-11(2)17(18(3,4)27)25-10-15-13(20)6-7-14(26-15)12-5-8-16(24-9-12)19(21,22)23/h5-9,11,17,25,27H,10H2,1-4H3/t17-/m1/s1
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| InChIKey |
WOAGDNQGARFCKM-QGZVFWFLSA-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