General Information of the Compound
| Compound ID |
CP0366717
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| Compound Name |
(2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-2-(3-fluoro-4-methoxy-phenyl)-1-[2-(phenylmethanesulfonyl-propyl-amino)-ethyl]-pyrrolidine-3-carboxylic acid
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| Structure |
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| Formula |
C31H35FN2O7S
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| Molecular Weight |
598.693
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| Canonical SMILES |
CCCN(CCN1C[C@@H]([C@H]([C@@H]1c1ccc(OC)c(F)c1)C(O)=O)c1ccc2OCOc2c1)S(=O)(=O)Cc1ccccc1
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| InChI |
InChI=1S/C31H35FN2O7S/c1-3-13-34(42(37,38)19-21-7-5-4-6-8-21)15-14-33-18-24(22-9-12-27-28(17-22)41-20-40-27)29(31(35)36)30(33)23-10-11-26(39-2)25(32)16-23/h4-12,16-17,24,29-30H,3,13-15,18-20H2,1-2H3,(H,35,36)/t24-,29-,30+/m1/s1
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| InChIKey |
QTVSQTWJVXHECP-DQWNXYKBSA-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