General Information of the Compound
| Compound ID |
CP0371250
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| Compound Name |
(2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-[2-(ethanesulfonyl-propyl-amino)-ethyl]-2-(4-methoxy-phenyl)-pyrrolidine-3-carboxylic acid
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| Structure |
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| Formula |
C26H34N2O7S
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| Molecular Weight |
518.632
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| Canonical SMILES |
CCCN(CCN1C[C@@H]([C@H]([C@@H]1c1ccc(OC)cc1)C(O)=O)c1ccc2OCOc2c1)S(=O)(=O)CC
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| InChI |
InChI=1S/C26H34N2O7S/c1-4-12-28(36(31,32)5-2)14-13-27-16-21(19-8-11-22-23(15-19)35-17-34-22)24(26(29)30)25(27)18-6-9-20(33-3)10-7-18/h6-11,15,21,24-25H,4-5,12-14,16-17H2,1-3H3,(H,29,30)/t21-,24-,25+/m1/s1
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| InChIKey |
GKCGBBQXEYNYKZ-SDUSCBPUSA-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