General Information of the Compound
| Compound ID |
CP0075591
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| Compound Name |
US10273259, Example 49
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| Formula |
C29H28F7NO5S
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| Molecular Weight |
635.598
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| Canonical SMILES |
OC(=O)[C@H]1CC[C@@H](CC1)C(=O)N1CC[C@@]2([C@H]1CCc1cc(ccc21)C(F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C29H28F7NO5S/c30-27(28(31,32)33,29(34,35)36)20-11-12-22-19(16-20)10-13-23-26(22,43(41,42)21-4-2-1-3-5-21)14-15-37(23)24(38)17-6-8-18(9-7-17)25(39)40/h1-5,11-12,16-18,23H,6-10,13-15H2,(H,39,40)/t17-,18-,23-,26-/m1/s1
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| InChIKey |
SXKKMGOPECZXNY-JJMBJGOUSA-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