General Information of the Compound
| Compound ID |
CP0530687
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| Compound Name |
US9340500, I-090
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| Structure |
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| Formula |
C22H27F3N2O3
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| Molecular Weight |
424.463
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| Canonical SMILES |
CCOC(=O)CCn1c(C)c(cc1C(C)(C)C)C(=O)Nc1cccc(c1)C(F)(F)F
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| InChI |
InChI=1S/C22H27F3N2O3/c1-6-30-19(28)10-11-27-14(2)17(13-18(27)21(3,4)5)20(29)26-16-9-7-8-15(12-16)22(23,24)25/h7-9,12-13H,6,10-11H2,1-5H3,(H,26,29)
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| InChIKey |
GBIZDGNNXKTDGX-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