General Information of the Compound
| Compound ID |
CP0573120
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| Compound Name |
4-Benzo[1,3]dioxol-5-yl-1-(1-dibutylcarbamoyl-ethyl)-2-(4-methoxy-phenyl)-pyrrolidine-3-carboxylic acid
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| Structure |
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| Formula |
C30H40N2O6
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| Molecular Weight |
524.658
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| Canonical SMILES |
CCCCN(CCCC)C(=O)C(C)N1CC(C(C1c1ccc(OC)cc1)C(O)=O)c1ccc2OCOc2c1
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| InChI |
InChI=1S/C30H40N2O6/c1-5-7-15-31(16-8-6-2)29(33)20(3)32-18-24(22-11-14-25-26(17-22)38-19-37-25)27(30(34)35)28(32)21-9-12-23(36-4)13-10-21/h9-14,17,20,24,27-28H,5-8,15-16,18-19H2,1-4H3,(H,34,35)
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| InChIKey |
MUDAUNJNTOHWSU-UHFFFAOYSA-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