General Information of the Compound
| Compound ID |
CP0565111
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| Compound Name |
US10435369, Example 72
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| Structure |
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| Formula |
C28H27F8NO4S
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| Molecular Weight |
625.578
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| Canonical SMILES |
OC1(CNC(=O)[C@@H]2CC[C@@]3([C@H]2CCc2cc(ccc32)C(F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c2ccc(F)cc2)CCC1
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| InChI |
InChI=1S/C28H27F8NO4S/c29-18-4-6-19(7-5-18)42(40,41)25-13-10-20(23(38)37-15-24(39)11-1-12-24)22(25)8-2-16-14-17(3-9-21(16)25)26(30,27(31,32)33)28(34,35)36/h3-7,9,14,20,22,39H,1-2,8,10-13,15H2,(H,37,38)/t20-,22+,25-/m1/s1
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| InChIKey |
RORQXNGSZJNUGB-JLRUASKGSA-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