General Information of the Compound
| Compound ID |
CP0414219
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| Compound Name |
US9187424, 132
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| Structure |
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| Formula |
C25H20F6N6O5
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| Molecular Weight |
598.46
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| Canonical SMILES |
Cc1ccc(cc1)C1=C(C(=O)Nn2cnc(n2)N(=O)=O)C(=O)NC(C1)(c1ccc(OCCC(F)(F)F)cc1)C(F)(F)F
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| InChI |
InChI=1S/C25H20F6N6O5/c1-14-2-4-15(5-3-14)18-12-23(25(29,30)31,16-6-8-17(9-7-16)42-11-10-24(26,27)28)33-20(38)19(18)21(39)34-36-13-32-22(35-36)37(40)41/h2-9,13H,10-12H2,1H3,(H,33,38)(H,34,39)
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| InChIKey |
KIXYHGJIKLOPFW-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