General Information of the Compound
| Compound ID |
CP0553824
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| Compound Name |
US8987445, 131
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| Structure |
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| Formula |
C26H21F3N2O5S
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| Molecular Weight |
530.524
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| Canonical SMILES |
Cc1ccc2c(C)c(ncc2c1)N(Cc1ccc(OC(F)(F)F)cc1)S(=O)(=O)c1ccc(cc1)C(O)=O
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| InChI |
InChI=1S/C26H21F3N2O5S/c1-16-3-12-23-17(2)24(30-14-20(23)13-16)31(15-18-4-8-21(9-5-18)36-26(27,28)29)37(34,35)22-10-6-19(7-11-22)25(32)33/h3-14H,15H2,1-2H3,(H,32,33)
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| InChIKey |
HFUMJQSXTAYUFU-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