General Information of the Compound
| Compound ID |
CP0574907
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| Compound Name |
4-[[4-[[(2S)-2-(benzylcarbamoyl)-5-oxopyrrolidin-1-yl]methyl]phenoxy]methyl]benzoic acid
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| Structure |
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| Formula |
C27H26N2O5
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| Molecular Weight |
458.514
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| Canonical SMILES |
OC(=O)c1ccc(COc2ccc(CN3[C@@H](CCC3=O)C(=O)NCc3ccccc3)cc2)cc1
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| InChI |
InChI=1S/C27H26N2O5/c30-25-15-14-24(26(31)28-16-19-4-2-1-3-5-19)29(25)17-20-8-12-23(13-9-20)34-18-21-6-10-22(11-7-21)27(32)33/h1-13,24H,14-18H2,(H,28,31)(H,32,33)/t24-/m0/s1
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| InChIKey |
HYHMBEPIQBIQLC-DEOSSOPVSA-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