General Information of the Compound
| Compound ID |
CP0430213
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| Compound Name |
3-{[4-(4-Fluoro-phenoxy)-benzoyl]-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 |
C33H38ClFN4O3
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| Molecular Weight |
593.143
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| Canonical SMILES |
CN(C1CCN(CCCc2ccc(Cl)cc2)C1)C(=O)N1CCC(C1)N(C)C(=O)c1ccc(Oc2ccc(F)cc2)cc1
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| InChI |
InChI=1S/C33H38ClFN4O3/c1-36(32(40)25-7-13-30(14-8-25)42-31-15-11-27(35)12-16-31)29-18-21-39(23-29)33(41)37(2)28-17-20-38(22-28)19-3-4-24-5-9-26(34)10-6-24/h5-16,28-29H,3-4,17-23H2,1-2H3
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| InChIKey |
PVIPSFPLLZFEEP-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