General Information of the Compound
| Compound ID |
CP0526390
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| Compound Name |
US9012651, 84
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| Structure |
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| Formula |
C21H24F4N2O
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| Molecular Weight |
396.428
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| Canonical SMILES |
OC[C@H](NCc1nc(ccc1F)-c1ccc(cc1)C(F)(F)F)C1CCCCC1
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| InChI |
InChI=1S/C21H24F4N2O/c22-17-10-11-18(15-6-8-16(9-7-15)21(23,24)25)27-19(17)12-26-20(13-28)14-4-2-1-3-5-14/h6-11,14,20,26,28H,1-5,12-13H2/t20-/m0/s1
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| InChIKey |
ZRKZQERLUHWIKW-FQEVSTJZSA-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