General Information of the Compound
| Compound ID |
CP0220668
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| Compound Name |
US10273259, Example 411
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| Structure |
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| Formula |
C28H23F8NO5S
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| Molecular Weight |
637.545
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| Canonical SMILES |
OC(=O)C12CC(C1)(C2)C(=O)N1CC[C@@]2([C@H]1CCc1cc(ccc21)C(F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1
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| InChI |
InChI=1S/C28H23F8NO5S/c29-17-3-5-18(6-4-17)43(41,42)25-9-10-37(21(38)23-12-24(13-23,14-23)22(39)40)20(25)8-1-15-11-16(2-7-19(15)25)26(30,27(31,32)33)28(34,35)36/h2-7,11,20H,1,8-10,12-14H2,(H,39,40)/t20-,23?,24?,25-/m1/s1
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| InChIKey |
VCOSISKXMJHFPP-ZSAXZHEQSA-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