General Information of the Compound
| Compound ID |
CP0520505
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| Compound Name |
US9012651, 272
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| Structure |
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| Formula |
C20H20F6N2O
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| Molecular Weight |
418.381
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| Canonical SMILES |
OCC1(CCCC1)NCc1cccc(n1)-c1cc(cc(c1)C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C20H20F6N2O/c21-19(22,23)14-8-13(9-15(10-14)20(24,25)26)17-5-3-4-16(28-17)11-27-18(12-29)6-1-2-7-18/h3-5,8-10,27,29H,1-2,6-7,11-12H2
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| InChIKey |
XXYDOPDFKZTYFK-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