General Information of the Compound
| Compound ID |
CP0495567
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| Compound Name |
US9340500, I-028
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| Structure |
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| Formula |
C26H25F6N3O2
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| Molecular Weight |
525.493
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| Canonical SMILES |
FC(F)(F)c1c(cc(-c2ccccc2)n1CCCN1CCOCC1)C(=O)Nc1cccc(c1)C(F)(F)F
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| InChI |
InChI=1S/C26H25F6N3O2/c27-25(28,29)19-8-4-9-20(16-19)33-24(36)21-17-22(18-6-2-1-3-7-18)35(23(21)26(30,31)32)11-5-10-34-12-14-37-15-13-34/h1-4,6-9,16-17H,5,10-15H2,(H,33,36)
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| InChIKey |
XXXHKCLHXIXQQP-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