General Information of the Compound
| Compound ID |
CP0050269
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| Compound Name |
(S)-1-(4-(2-fluoroethoxy)benzyl)-5-(2-((pyridin-3-yloxy)methyl)azetidin-1-ylsulfonyl)indoline-2,3-dione
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| Structure |
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| Formula |
C26H24FN3O6S
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| Molecular Weight |
525.558
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| Canonical SMILES |
FCCOc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CC[C@H]2COc2cccnc2)cc1
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| InChI |
InChI=1S/C26H24FN3O6S/c27-10-13-35-20-5-3-18(4-6-20)16-29-24-8-7-22(14-23(24)25(31)26(29)32)37(33,34)30-12-9-19(30)17-36-21-2-1-11-28-15-21/h1-8,11,14-15,19H,9-10,12-13,16-17H2/t19-/m0/s1
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| InChIKey |
YYTCWUDLORCZAE-IBGZPJMESA-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