General Information of the Compound
| Compound ID |
CP0546690
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| Compound Name |
US8791272, 9.28
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| Structure |
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| Formula |
C26H26FN3O4
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| Molecular Weight |
463.509
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| Canonical SMILES |
CCc1nn(Cc2ccc(cc2F)C(=O)NCc2cc3ccccc3o2)c(CC)c1CC(O)=O
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| InChI |
InChI=1S/C26H26FN3O4/c1-3-22-20(13-25(31)32)23(4-2)30(29-22)15-18-10-9-17(12-21(18)27)26(33)28-14-19-11-16-7-5-6-8-24(16)34-19/h5-12H,3-4,13-15H2,1-2H3,(H,28,33)(H,31,32)
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| InChIKey |
WOKLKWPWQKKTDK-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