General Information of the Compound
| Compound ID |
CP0529187
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| Compound Name |
US9187424, 186
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| Structure |
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| Formula |
C26H24F6N4O2
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| Molecular Weight |
538.492
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| Canonical SMILES |
Cc1nncn1C1=C(CC(NC1=O)(c1ccc(OCCCC(F)(F)F)cc1)C(F)(F)F)c1ccc(C)cc1
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| InChI |
InChI=1S/C26H24F6N4O2/c1-16-4-6-18(7-5-16)21-14-24(26(30,31)32,34-23(37)22(21)36-15-33-35-17(36)2)19-8-10-20(11-9-19)38-13-3-12-25(27,28)29/h4-11,15H,3,12-14H2,1-2H3,(H,34,37)
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| InChIKey |
ZREPKNZRYRRDGN-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