General Information of the Compound
| Compound ID |
CP0946015
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| Compound Name |
US9187424, 203
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| Structure |
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| Formula |
C26H24F7N5O3
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| Molecular Weight |
587.496
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| Canonical SMILES |
CCOCc1ccc(C2=C(c3nn[nH]n3)C(=O)NC(c3ccc(OCCCC(F)(F)F)cc3)(C(F)(F)F)C2)cc1F
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| InChI |
InChI=1S/C26H24F7N5O3/c1-2-40-14-16-5-4-15(12-20(16)27)19-13-24(26(31,32)33,34-23(39)21(19)22-35-37-38-36-22)17-6-8-18(9-7-17)41-11-3-10-25(28,29)30/h4-9,12H,2-3,10-11,13-14H2,1H3,(H,34,39)(H,35,36,37,38)
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| InChIKey |
IHWQYDIUILRJIZ-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