General Information of the Compound
| Compound ID |
CP0423199
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| Compound Name |
(2S,3S,4R)-4-Benzo[1,3]dioxol-5-yl-1-[(cyclohexyl-methyl-carbamoyl)-methyl]-2-(4-methoxy-phenyl)-pyrrolidine-3-carboxylic acid
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| Structure |
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| Formula |
C28H34N2O6
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| Molecular Weight |
494.588
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| Canonical SMILES |
COc1ccc(cc1)[C@@H]1[C@H]([C@@H](CN1CC(=O)N(C)C1CCCCC1)c1ccc2OCOc2c1)C(O)=O
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| InChI |
InChI=1S/C28H34N2O6/c1-29(20-6-4-3-5-7-20)25(31)16-30-15-22(19-10-13-23-24(14-19)36-17-35-23)26(28(32)33)27(30)18-8-11-21(34-2)12-9-18/h8-14,20,22,26-27H,3-7,15-17H2,1-2H3,(H,32,33)/t22-,26-,27+/m0/s1
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| InChIKey |
PJPSUSRDIRKFPW-WDDWZANVSA-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