General Information of the Compound
| Compound ID |
CP0559690
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| Compound Name |
US9216968, 74
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| Structure |
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| Formula |
C27H24ClF3N4O4
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| Molecular Weight |
560.96
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| Canonical SMILES |
COCCOCc1nc2c(cc(NC(=O)c3ccccc3C(F)(F)F)cc2[nH]1)C(=O)Nc1cccc(Cl)c1C
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| InChI |
InChI=1S/C27H24ClF3N4O4/c1-15-20(28)8-5-9-21(15)34-26(37)18-12-16(13-22-24(18)35-23(33-22)14-39-11-10-38-2)32-25(36)17-6-3-4-7-19(17)27(29,30)31/h3-9,12-13H,10-11,14H2,1-2H3,(H,32,36)(H,33,35)(H,34,37)
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| InChIKey |
GQCTXJLTTOFMJI-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