General Information of the Compound
| Compound ID |
CP0941761
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| Compound Name |
US9187424, 236
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| Structure |
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| Formula |
C26H21F6N7O2
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| Molecular Weight |
577.489
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| Canonical SMILES |
O=C1NC(c2ccc(OCCCC(F)(F)F)cc2)(C(F)(F)F)CC(c2ccc(-n3cccn3)cc2)=C1c1nn[nH]n1
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| InChI |
InChI=1S/C26H21F6N7O2/c27-25(28,29)11-1-14-41-19-9-5-17(6-10-19)24(26(30,31)32)15-20(21(23(40)34-24)22-35-37-38-36-22)16-3-7-18(8-4-16)39-13-2-12-33-39/h2-10,12-13H,1,11,14-15H2,(H,34,40)(H,35,36,37,38)
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| InChIKey |
YTAZJQXJVGNHAJ-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