General Information of the Compound
| Compound ID |
CP0484008
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| Compound Name |
US9187424, 257
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| Structure |
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| Formula |
C25H23F6N3O4
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| Molecular Weight |
543.464
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| Canonical SMILES |
COOCNc1ccc(cc1)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/C25H23F6N3O4/c1-36-38-15-33-18-7-3-16(4-8-18)20-13-23(25(29,30)31,34-22(35)21(20)14-32)17-5-9-19(10-6-17)37-12-2-11-24(26,27)28/h3-10,33H,2,11-13,15H2,1H3,(H,34,35)
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| InChIKey |
WIDUWVDHOUPQPC-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