General Information of the Compound
| Compound ID |
CP0516645
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| Compound Name |
4-[[4-[[(2S)-2-(benzylcarbamoyl)pyrrolidin-1-yl]methyl]phenoxy]methyl]benzoic acid
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| Structure |
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| Formula |
C27H28N2O4
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| Molecular Weight |
444.531
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| Canonical SMILES |
OC(=O)c1ccc(COc2ccc(CN3CCC[C@H]3C(=O)NCc3ccccc3)cc2)cc1
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| InChI |
InChI=1S/C27H28N2O4/c30-26(28-17-20-5-2-1-3-6-20)25-7-4-16-29(25)18-21-10-14-24(15-11-21)33-19-22-8-12-23(13-9-22)27(31)32/h1-3,5-6,8-15,25H,4,7,16-19H2,(H,28,30)(H,31,32)/t25-/m0/s1
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| InChIKey |
HUHVIKFYLQONAC-VWLOTQADSA-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