General Information of the Compound
| Compound ID |
CP0486446
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| Compound Name |
(2S,3S,4R)-4-Benzo[1,3]dioxol-5-yl-1-cyclopentylcarbamoylmethyl-2-(4-methoxy-phenyl)-pyrrolidine-3-carboxylic acid
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| Structure |
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| Formula |
C26H30N2O6
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| Molecular Weight |
466.534
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| Canonical SMILES |
COc1ccc(cc1)[C@@H]1[C@H]([C@@H](CN1CC(=O)NC1CCCC1)c1ccc2OCOc2c1)C(O)=O
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| InChI |
InChI=1S/C26H30N2O6/c1-32-19-9-6-16(7-10-19)25-24(26(30)31)20(17-8-11-21-22(12-17)34-15-33-21)13-28(25)14-23(29)27-18-4-2-3-5-18/h6-12,18,20,24-25H,2-5,13-15H2,1H3,(H,27,29)(H,30,31)/t20-,24-,25+/m0/s1
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| InChIKey |
JZYDXWNTXJJACP-KSNOWIBYSA-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