General Information of the Compound
| Compound ID |
CP0450290
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| Compound Name |
US8987445, 192
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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 |
Cc1c(ncc2ccccc12)N(Cc1ccc(COC(F)(F)F)cc1)S(=O)(=O)c1ccc(cc1)C(O)=O
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| InChI |
InChI=1S/C26H21F3N2O5S/c1-17-23-5-3-2-4-21(23)14-30-24(17)31(37(34,35)22-12-10-20(11-13-22)25(32)33)15-18-6-8-19(9-7-18)16-36-26(27,28)29/h2-14H,15-16H2,1H3,(H,32,33)
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| InChIKey |
ZYISLXNIQQPUGB-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