General Information of the Compound
| Compound ID |
CP0050272
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| Compound Name |
(S)-1-(4-(2-(2-(2-fluoroethoxy)ethoxy)ethoxy)benzyl)-5-(2-(phenoxymethyl)pyrrolidin-1-ylsulfonyl)indoline-2,3-dione
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| Structure |
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| Formula |
C32H35FN2O8S
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| Molecular Weight |
626.703
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| Canonical SMILES |
FCCOCCOCCOc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CCC[C@H]2COc2ccccc2)cc1
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| InChI |
InChI=1S/C32H35FN2O8S/c33-14-16-40-17-18-41-19-20-42-27-10-8-24(9-11-27)22-34-30-13-12-28(21-29(30)31(36)32(34)37)44(38,39)35-15-4-5-25(35)23-43-26-6-2-1-3-7-26/h1-3,6-13,21,25H,4-5,14-20,22-23H2/t25-/m0/s1
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| InChIKey |
XBDITFWCQVJBBF-VWLOTQADSA-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