General Information of the Compound
| Compound ID |
CP0525191
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| Compound Name |
US9012651, 74
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| Structure |
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| Formula |
C17H18F4N2O2
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| Molecular Weight |
358.335
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| Canonical SMILES |
COCC(CO)NCc1nc(ccc1F)-c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C17H18F4N2O2/c1-25-10-13(9-24)22-8-16-14(18)6-7-15(23-16)11-2-4-12(5-3-11)17(19,20)21/h2-7,13,22,24H,8-10H2,1H3
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| InChIKey |
WAUBHFWCPAMTQD-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