General Information of the Compound
| Compound ID |
CP0472326
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| Compound Name |
US9012651, 185
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| Structure |
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| Formula |
C18H21F3N4O
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| Molecular Weight |
366.387
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| Canonical SMILES |
OCC1(CCCCC1)NCc1ccnc(n1)-c1ccc(nc1)C(F)(F)F
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| InChI |
InChI=1S/C18H21F3N4O/c19-18(20,21)15-5-4-13(10-23-15)16-22-9-6-14(25-16)11-24-17(12-26)7-2-1-3-8-17/h4-6,9-10,24,26H,1-3,7-8,11-12H2
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| InChIKey |
FRQUAOGLSLOKCZ-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