General Information of the Compound
| Compound ID |
CP0532582
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| Compound Name |
US8835470, 93
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| Structure |
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| Formula |
C26H22F3N5O6
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| Molecular Weight |
557.485
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| Canonical SMILES |
OC(C(=O)NCCC(=O)N1CC(O)C1)c1ccc(cc1)-c1noc(n1)-c1onc(c1C(F)(F)F)-c1ccccc1
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| InChI |
InChI=1S/C26H22F3N5O6/c27-26(28,29)19-20(14-4-2-1-3-5-14)32-39-22(19)25-31-23(33-40-25)16-8-6-15(7-9-16)21(37)24(38)30-11-10-18(36)34-12-17(35)13-34/h1-9,17,21,35,37H,10-13H2,(H,30,38)
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| InChIKey |
OKBRRYAYWLZRRX-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