General Information of the Compound
| Compound ID |
CP0952669
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| Compound Name |
US9187424, 95
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| Structure |
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| Formula |
C24H20F7N5O3
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| Molecular Weight |
559.442
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| Canonical SMILES |
COc1ccc(C2=C(c3nn[nH]n3)C(=O)NC(c3ccc(OCCCC(F)(F)F)cc3)(C(F)(F)F)C2)c(F)c1
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| InChI |
InChI=1S/C24H20F7N5O3/c1-38-15-7-8-16(18(25)11-15)17-12-22(24(29,30)31,32-21(37)19(17)20-33-35-36-34-20)13-3-5-14(6-4-13)39-10-2-9-23(26,27)28/h3-8,11H,2,9-10,12H2,1H3,(H,32,37)(H,33,34,35,36)
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| InChIKey |
CEJPQNFIBGMEDJ-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