General Information of the Compound
| Compound ID |
CP0511477
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| Compound Name |
(2S,3S,4R)-4-Benzo[1,3]dioxol-5-yl-1-carbamoylmethyl-2-(4-methoxy-phenyl)-pyrrolidine-3-carboxylic acid
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| Structure |
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| Formula |
C21H22N2O6
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| Molecular Weight |
398.415
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| Canonical SMILES |
COc1ccc(cc1)[C@@H]1[C@H]([C@@H](CN1CC(N)=O)c1ccc2OCOc2c1)C(O)=O
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| InChI |
InChI=1S/C21H22N2O6/c1-27-14-5-2-12(3-6-14)20-19(21(25)26)15(9-23(20)10-18(22)24)13-4-7-16-17(8-13)29-11-28-16/h2-8,15,19-20H,9-11H2,1H3,(H2,22,24)(H,25,26)/t15-,19-,20+/m0/s1
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| InChIKey |
CQNUXGPALBHTAC-RYGJVYDSSA-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