General Information of the Compound
| Compound ID |
CP0564029
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| Compound Name |
US9187424, 215
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| Structure |
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| Formula |
C25H22F6N2O3
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| Molecular Weight |
512.45
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| Canonical SMILES |
COc1ccc(cc1C)C1=C(C#N)C(=O)NC(C1)(c1ccc(OCCCC(F)(F)F)cc1)C(F)(F)F
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| InChI |
InChI=1S/C25H22F6N2O3/c1-15-12-16(4-9-21(15)35-2)19-13-23(25(29,30)31,33-22(34)20(19)14-32)17-5-7-18(8-6-17)36-11-3-10-24(26,27)28/h4-9,12H,3,10-11,13H2,1-2H3,(H,33,34)
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| InChIKey |
RTQORFWEKWJBCY-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