General Information of the Compound
| Compound ID |
CP0962353
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| Compound Name |
US9187424, 247
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| Structure |
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| Formula |
C26H25F6N5O3
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| Molecular Weight |
569.506
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| Canonical SMILES |
COc1ccc(C2=C(c3nn[nH]n3)C(=O)NC(c3ccc(OCCCCCC(F)(F)F)cc3)(C(F)(F)F)C2)cc1
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| InChI |
InChI=1S/C26H25F6N5O3/c1-39-18-9-5-16(6-10-18)20-15-24(26(30,31)32,33-23(38)21(20)22-34-36-37-35-22)17-7-11-19(12-8-17)40-14-4-2-3-13-25(27,28)29/h5-12H,2-4,13-15H2,1H3,(H,33,38)(H,34,35,36,37)
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| InChIKey |
BOXWVWQHYOLMOV-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