General Information of the Compound
| Compound ID |
CP0525875
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| Compound Name |
3-(3-Biphenyl-4-yl-1-methyl-ureido)-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 |
C33H40ClN5O2
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| Molecular Weight |
574.169
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| Canonical SMILES |
CN(C1CCN(C1)C(=O)N(C)C1CCN(CCCc2ccc(Cl)cc2)C1)C(=O)Nc1ccc(cc1)-c1ccccc1
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| InChI |
InChI=1S/C33H40ClN5O2/c1-36(32(40)35-29-16-12-27(13-17-29)26-8-4-3-5-9-26)31-19-22-39(24-31)33(41)37(2)30-18-21-38(23-30)20-6-7-25-10-14-28(34)15-11-25/h3-5,8-17,30-31H,6-7,18-24H2,1-2H3,(H,35,40)
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| InChIKey |
JTXBXFTVOCSXTB-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