General Information of the Compound
| Compound ID |
CP0556028
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| Compound Name |
US8987445, 242
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| Structure |
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| Formula |
C25H17F6N3O4S
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| Molecular Weight |
569.483
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| Canonical SMILES |
NC(=O)c1ccc(cc1)S(=O)(=O)N(Cc1ccc(OC(F)(F)F)cc1)c1ncc2ccccc2c1C(F)(F)F
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| InChI |
InChI=1S/C25H17F6N3O4S/c26-24(27,28)21-20-4-2-1-3-17(20)13-33-23(21)34(14-15-5-9-18(10-6-15)38-25(29,30)31)39(36,37)19-11-7-16(8-12-19)22(32)35/h1-13H,14H2,(H2,32,35)
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| InChIKey |
DGAIFCZOQRCUOA-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