General Information of the Compound
| Compound ID |
CP0402604
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| Compound Name |
US9216968, 232
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| Structure |
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| Formula |
C25H18F3N5O4
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| Molecular Weight |
509.444
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| Canonical SMILES |
COCc1nc2c(cc(NC(=O)c3ccccc3C(F)(F)F)cc2[nH]1)C(=O)Nc1nc2ccccc2o1
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| InChI |
InChI=1S/C25H18F3N5O4/c1-36-12-20-30-18-11-13(29-22(34)14-6-2-3-7-16(14)25(26,27)28)10-15(21(18)32-20)23(35)33-24-31-17-8-4-5-9-19(17)37-24/h2-11H,12H2,1H3,(H,29,34)(H,30,32)(H,31,33,35)
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| InChIKey |
BRXSELRINRRWFX-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