General Information of the Compound
| Compound ID |
CP0551753
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| Compound Name |
3-{[5-(4-Chloro-phenyl)-5-oxo-pentanoyl]-methyl-amino}-pyrrolidine-1-carboxylic acid methyl-[1-(3-phenyl-propyl)-pyrrolidin-3-yl]-amide
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| Structure |
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| Formula |
C31H41ClN4O3
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| Molecular Weight |
553.147
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| Canonical SMILES |
CN(C1CCN(C1)C(=O)N(C)C1CCN(CCCc2ccccc2)C1)C(=O)CCCC(=O)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C31H41ClN4O3/c1-33(30(38)12-6-11-29(37)25-13-15-26(32)16-14-25)28-18-21-36(23-28)31(39)34(2)27-17-20-35(22-27)19-7-10-24-8-4-3-5-9-24/h3-5,8-9,13-16,27-28H,6-7,10-12,17-23H2,1-2H3
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| InChIKey |
XIDNOMAOWXFKDO-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