General Information of the Compound
| Compound ID |
CP0521942
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| Compound Name |
4-Benzo[1,3]dioxol-5-yl-1-dibutylcarbamoylmethyl-2-(4-methoxy-phenyl)-pyrrolidine-3-carboxylic acid amide
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| Structure |
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| Formula |
C29H39N3O5
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| Molecular Weight |
509.647
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| Canonical SMILES |
CCCCN(CCCC)C(=O)CN1CC(C(C1c1ccc(OC)cc1)C(N)=O)c1ccc2OCOc2c1
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| InChI |
InChI=1S/C29H39N3O5/c1-4-6-14-31(15-7-5-2)26(33)18-32-17-23(21-10-13-24-25(16-21)37-19-36-24)27(29(30)34)28(32)20-8-11-22(35-3)12-9-20/h8-13,16,23,27-28H,4-7,14-15,17-19H2,1-3H3,(H2,30,34)
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| InChIKey |
QFVSJYNKQYXIFC-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