General Information of the Compound
| Compound ID |
CP0926691
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| Compound Name |
US9187424, 127
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| Structure |
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| Formula |
C27H25F3N6O2
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| Molecular Weight |
522.531
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| Canonical SMILES |
Cc1ccc(C2=C(C(=O)Nc3nn[nH]n3)C(=O)NC(c3cccc(C4=CCCCC4)c3)(C(F)(F)F)C2)cc1
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| InChI |
InChI=1S/C27H25F3N6O2/c1-16-10-12-18(13-11-16)21-15-26(27(28,29)30,20-9-5-8-19(14-20)17-6-3-2-4-7-17)32-24(38)22(21)23(37)31-25-33-35-36-34-25/h5-6,8-14H,2-4,7,15H2,1H3,(H,32,38)(H2,31,33,34,35,36,37)
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| InChIKey |
ZMLGOBBSEIZAOH-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