General Information of the Compound
| Compound ID |
CP0526731
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| Compound Name |
4-Benzo[1,3]dioxol-5-yl-1-dibutylcarbamoylmethyl-2-(4-propyl-phenyl)-pyrrolidine-3-carboxylic acid
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| Structure |
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| Formula |
C31H42N2O5
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| Molecular Weight |
522.686
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| Canonical SMILES |
CCCCN(CCCC)C(=O)CN1C[C@@H]([C@H]([C@@H]1c1ccc(CCC)cc1)C(O)=O)c1ccc2OCOc2c1
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| InChI |
InChI=1S/C31H42N2O5/c1-4-7-16-32(17-8-5-2)28(34)20-33-19-25(24-14-15-26-27(18-24)38-21-37-26)29(31(35)36)30(33)23-12-10-22(9-6-3)11-13-23/h10-15,18,25,29-30H,4-9,16-17,19-21H2,1-3H3,(H,35,36)/t25-,29-,30+/m1/s1
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| InChIKey |
KGXAMRYEVKTKDJ-RKJPZGCHSA-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