General Information of the Compound
| Compound ID |
CP0569407
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| Compound Name |
US9340500, I-088
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| Structure |
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| Formula |
C26H26F3N3O2
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| Molecular Weight |
469.507
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| Canonical SMILES |
FC(F)(F)c1cccc(NC(=O)c2cnc(c(CCCN3CCOCC3)c2)-c2ccccc2)c1
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| InChI |
InChI=1S/C26H26F3N3O2/c27-26(28,29)22-9-4-10-23(17-22)31-25(33)21-16-20(8-5-11-32-12-14-34-15-13-32)24(30-18-21)19-6-2-1-3-7-19/h1-4,6-7,9-10,16-18H,5,8,11-15H2,(H,31,33)
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| InChIKey |
PRLXWIFNMDBDRF-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