General Information of the Compound
| Compound ID |
CP0929471
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| Compound Name |
US9187424, 305
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| Structure |
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| Formula |
C27H26F7N5O3
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| Molecular Weight |
601.523
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| Canonical SMILES |
CCOc1ccc(C2=C(c3nn[nH]n3)C(=O)NC(c3ccc(OCCCCCC(F)(F)F)c(F)c3)(C(F)(F)F)C2)cc1
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| InChI |
InChI=1S/C27H26F7N5O3/c1-2-41-18-9-6-16(7-10-18)19-15-25(27(32,33)34,35-24(40)22(19)23-36-38-39-37-23)17-8-11-21(20(28)14-17)42-13-5-3-4-12-26(29,30)31/h6-11,14H,2-5,12-13,15H2,1H3,(H,35,40)(H,36,37,38,39)
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| InChIKey |
YWWYJNMDDXTKGM-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