General Information of the Compound
| Compound ID |
CP0526858
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| Compound Name |
4-[[4-[[[(2S)-1-[(4-bromophenyl)methyl]-5-oxopyrrolidine-2-carbonyl]amino]methyl]phenoxy]methyl]benzoic acid
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| Structure |
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| Formula |
C27H25BrN2O5
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| Molecular Weight |
537.41
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| Canonical SMILES |
OC(=O)c1ccc(COc2ccc(CNC(=O)[C@@H]3CCC(=O)N3Cc3ccc(Br)cc3)cc2)cc1
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| InChI |
InChI=1S/C27H25BrN2O5/c28-22-9-3-19(4-10-22)16-30-24(13-14-25(30)31)26(32)29-15-18-5-11-23(12-6-18)35-17-20-1-7-21(8-2-20)27(33)34/h1-12,24H,13-17H2,(H,29,32)(H,33,34)/t24-/m0/s1
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| InChIKey |
PMIQNTJAINKBJR-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