General Information of the Compound
| Compound ID |
CP0450557
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| Compound Name |
US9187424, 160
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| Structure |
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| Formula |
C24H18F8N2O2
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| Molecular Weight |
518.404
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| Canonical SMILES |
Cc1ccc(cc1)C1=C(C#N)C(=O)NC(c2ccc(OCCCC(F)(F)F)cc2)(C(F)(F)F)C1(F)F
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| InChI |
InChI=1S/C24H18F8N2O2/c1-14-3-5-15(6-4-14)19-18(13-33)20(35)34-22(23(19,28)29,24(30,31)32)16-7-9-17(10-8-16)36-12-2-11-21(25,26)27/h3-10H,2,11-12H2,1H3,(H,34,35)
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| InChIKey |
OEPXPZSRQIXVNF-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