General Information of the Compound
| Compound ID |
CP0540111
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| Compound Name |
US10435369, Example 4
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| Structure |
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| Formula |
C27H25F8NO4S
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| Molecular Weight |
611.551
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| Canonical SMILES |
Fc1ccc(cc1)S(=O)(=O)[C@@]12CC[C@H]([C@@H]1CCc1cc(ccc21)C(F)(C(F)(F)F)C(F)(F)F)C(=O)N1CCOCC1
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| InChI |
InChI=1S/C27H25F8NO4S/c28-18-3-5-19(6-4-18)41(38,39)24-10-9-20(23(37)36-11-13-40-14-12-36)22(24)7-1-16-15-17(2-8-21(16)24)25(29,26(30,31)32)27(33,34)35/h2-6,8,15,20,22H,1,7,9-14H2/t20-,22+,24-/m1/s1
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| InChIKey |
ZIPHIEGSKVZYLM-JCTONOIOSA-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