General Information of the Compound
| Compound ID |
CP0102761
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| Compound Name |
(2S,4R)-4-Acetylsulfanyl-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 |
C23H22F3NO6S
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| Molecular Weight |
497.491
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| Canonical SMILES |
CC(=O)S[C@@H]1C[C@@H](COCc2cc(F)c(F)cc2F)N(C1)C(=O)Oc1cccc2OCCOc12
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| InChI |
InChI=1S/C23H22F3NO6S/c1-13(28)34-16-8-15(12-30-11-14-7-18(25)19(26)9-17(14)24)27(10-16)23(29)33-21-4-2-3-20-22(21)32-6-5-31-20/h2-4,7,9,15-16H,5-6,8,10-12H2,1H3/t15-,16+/m0/s1
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| InChIKey |
VILIDDZBEXSSLV-JKSUJKDBSA-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