General Information of the Compound
| Compound ID |
CP0562218
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| Compound Name |
4-[[4-[[[(2R)-1-[(4-fluorophenyl)methyl]pyrrolidine-2-carbonyl]amino]methyl]phenoxy]methyl]benzoic acid
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| Structure |
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| Formula |
C27H27FN2O4
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| Molecular Weight |
462.521
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| Canonical SMILES |
OC(=O)c1ccc(COc2ccc(CNC(=O)[C@H]3CCCN3Cc3ccc(F)cc3)cc2)cc1
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| InChI |
InChI=1S/C27H27FN2O4/c28-23-11-5-20(6-12-23)17-30-15-1-2-25(30)26(31)29-16-19-7-13-24(14-8-19)34-18-21-3-9-22(10-4-21)27(32)33/h3-14,25H,1-2,15-18H2,(H,29,31)(H,32,33)/t25-/m1/s1
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| InChIKey |
QMNNOJRLARIGCN-RUZDIDTESA-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