General Information of the Compound
| Compound ID |
CP0525874
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| Compound Name |
3-{[2-(4-tert-Butyl-phenoxy)-acetyl]-methyl-amino}-pyrrolidine-1-carboxylic acid {1-[3-(4-chloro-phenyl)-propyl]-pyrrolidin-3-yl}-methyl-amide
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| Structure |
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| Formula |
C32H45ClN4O3
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| Molecular Weight |
569.19
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| Canonical SMILES |
CN(C1CCN(C1)C(=O)N(C)C1CCN(CCCc2ccc(Cl)cc2)C1)C(=O)COc1ccc(cc1)C(C)(C)C
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| InChI |
InChI=1S/C32H45ClN4O3/c1-32(2,3)25-10-14-29(15-11-25)40-23-30(38)34(4)28-17-20-37(22-28)31(39)35(5)27-16-19-36(21-27)18-6-7-24-8-12-26(33)13-9-24/h8-15,27-28H,6-7,16-23H2,1-5H3
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| InChIKey |
SXVLTSDSQOWRHK-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