General Information of the Compound
| Compound ID |
CP0468039
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| Compound Name |
US9012461, 24
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| Structure |
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| Formula |
C28H30F3N5O2
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| Molecular Weight |
525.575
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| Canonical SMILES |
CC(=O)C1CCN(CC1)c1ccc(Nc2ncc(c(CCc3ccccc3CC(N)=O)n2)C(F)(F)F)cc1
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| InChI |
InChI=1S/C28H30F3N5O2/c1-18(37)19-12-14-36(15-13-19)23-9-7-22(8-10-23)34-27-33-17-24(28(29,30)31)25(35-27)11-6-20-4-2-3-5-21(20)16-26(32)38/h2-5,7-10,17,19H,6,11-16H2,1H3,(H2,32,38)(H,33,34,35)
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| InChIKey |
NSKLAADQGFXBGK-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