General Information of the Compound
| Compound ID |
CP0579067
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| Compound Name |
[4-[[4-[[[(2S)-1-benzyl-5-oxopyrrolidine-2-carbonyl]amino]methyl]phenoxy]methyl]phenyl]boronic acid
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| Structure |
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| Formula |
C26H27BN2O5
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| Molecular Weight |
458.323
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| Canonical SMILES |
OB(O)c1ccc(COc2ccc(CNC(=O)[C@@H]3CCC(=O)N3Cc3ccccc3)cc2)cc1
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| InChI |
InChI=1S/C26H27BN2O5/c30-25-15-14-24(29(25)17-20-4-2-1-3-5-20)26(31)28-16-19-8-12-23(13-9-19)34-18-21-6-10-22(11-7-21)27(32)33/h1-13,24,32-33H,14-18H2,(H,28,31)/t24-/m0/s1
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| InChIKey |
YVLZFMCOVOYTTQ-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