General Information of the Compound
| Compound ID |
CP0952670
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| Compound Name |
US9187424, 97
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| Structure |
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| Formula |
C23H19F6N5O2
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| Molecular Weight |
511.426
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| Canonical SMILES |
O=C1NC(c2ccc(OCCCC(F)(F)F)cc2)(C(F)(F)F)CC(c2ccccc2)=C1c1nn[nH]n1
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| InChI |
InChI=1S/C23H19F6N5O2/c24-22(25,26)11-4-12-36-16-9-7-15(8-10-16)21(23(27,28)29)13-17(14-5-2-1-3-6-14)18(20(35)30-21)19-31-33-34-32-19/h1-3,5-10H,4,11-13H2,(H,30,35)(H,31,32,33,34)
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| InChIKey |
IBXNWKNUAXWFPB-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