General Information of the Compound
| Compound ID |
CP0450096
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| Compound Name |
US8835470, 90
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| Structure |
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| Formula |
C28H19F3N6O4
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| Molecular Weight |
560.492
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| Canonical SMILES |
OC(C(=O)NCc1nc2ccccc2[nH]1)c1ccc(cc1)-c1noc(n1)-c1onc(c1C(F)(F)F)-c1ccccc1
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| InChI |
InChI=1S/C28H19F3N6O4/c29-28(30,31)21-22(15-6-2-1-3-7-15)36-40-24(21)27-35-25(37-41-27)17-12-10-16(11-13-17)23(38)26(39)32-14-20-33-18-8-4-5-9-19(18)34-20/h1-13,23,38H,14H2,(H,32,39)(H,33,34)
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| InChIKey |
SPMLFHWDEUOWDX-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