General Information of the Compound
| Compound ID |
CP0102762
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| Compound Name |
(2S,4R)-4-Benzoylsulfanyl-2-(2,4,5-trifluoro-benzyloxymethyl)-pyrrolidine-1-carboxylic acid 2,3-dihydro-benzo[1,4]dioxin-5-yl ester
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| Structure |
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| Formula |
C28H24F3NO6S
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| Molecular Weight |
559.562
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| Canonical SMILES |
Fc1cc(F)c(COC[C@@H]2C[C@H](CN2C(=O)Oc2cccc3OCCOc23)SC(=O)c2ccccc2)cc1F
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| InChI |
InChI=1S/C28H24F3NO6S/c29-21-13-23(31)22(30)11-18(21)15-35-16-19-12-20(39-27(33)17-5-2-1-3-6-17)14-32(19)28(34)38-25-8-4-7-24-26(25)37-10-9-36-24/h1-8,11,13,19-20H,9-10,12,14-16H2/t19-,20+/m0/s1
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| InChIKey |
UZHWIRWAHWQBBD-VQTJNVASSA-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