General Information of the Compound
| Compound ID |
CP0928176
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| Compound Name |
US9187424, 307
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| Structure |
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| Formula |
C28H25F6N5O2
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| Molecular Weight |
577.529
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| Canonical SMILES |
CCCCCCC#Cc1ccc(C2(C(F)(F)F)CC(c3ccc(OC(F)F)cc3)=C(c3nn[nH]n3)C(=O)N2)cc1F
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| InChI |
InChI=1S/C28H25F6N5O2/c1-2-3-4-5-6-7-8-18-9-12-19(15-22(18)29)27(28(32,33)34)16-21(17-10-13-20(14-11-17)41-26(30)31)23(25(40)35-27)24-36-38-39-37-24/h9-15,26H,2-6,16H2,1H3,(H,35,40)(H,36,37,38,39)
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| InChIKey |
LFTIXOCPHNGNGN-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