General Information of the Compound
| Compound ID |
CP0445190
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| Compound Name |
US9340500, I-083
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| Structure |
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| Formula |
C25H26F3N3O2
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| Molecular Weight |
457.496
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| Canonical SMILES |
Cc1c(cc(-c2ccccc2)n1CCN1CCOCC1)C(=O)Nc1cccc(c1)C(F)(F)F
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| InChI |
InChI=1S/C25H26F3N3O2/c1-18-22(24(32)29-21-9-5-8-20(16-21)25(26,27)28)17-23(19-6-3-2-4-7-19)31(18)11-10-30-12-14-33-15-13-30/h2-9,16-17H,10-15H2,1H3,(H,29,32)
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| InChIKey |
VDAWHOGGSFBUPO-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