General Information of the Compound
| Compound ID |
CP0961928
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| Compound Name |
US9187424, 287
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| Structure |
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| Formula |
C27H27F6N5O2
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| Molecular Weight |
567.534
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| Canonical SMILES |
Cc1ccc(C2=C(c3nn[nH]n3)C(=O)NC(c3ccc(OCCCCCC(F)(F)F)c(C)c3)(C(F)(F)F)C2)cc1
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| InChI |
InChI=1S/C27H27F6N5O2/c1-16-6-8-18(9-7-16)20-15-25(27(31,32)33,34-24(39)22(20)23-35-37-38-36-23)19-10-11-21(17(2)14-19)40-13-5-3-4-12-26(28,29)30/h6-11,14H,3-5,12-13,15H2,1-2H3,(H,34,39)(H,35,36,37,38)
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| InChIKey |
SEORFEJEWYTTFW-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