Compound Synopsis
Compound Overview
Bioactivity Data Summary
Protein Affinity Profile
Cellline Sensitivity Profile

379197 - Overview - Compound Synopsis

Synonyms
0U4
Molecular Formula
C42H53N5O5S
InChI
InChI=1S/C42H53N5O5S/c1-31(35-17-11-6-12-18-35)44-41(49)36-26-37(28-38(27-36)46(2)53(3,51)52)42(50)45-39(25-33-13-7-4-8-14-33)40(48)29-43-22-19-32-20-23-47(24-21-32)30-34-15-9-5-10-16-34/h4-18,26-28,31-32,39-40,43,48H,19-25,29-30H2,1-3H3,(H,44,49)(H,45,50)/t31-,39+,40-/m1/s1
Smiles
C[C@@H](NC(=O)c1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CNCCC2CCN(Cc3ccccc3)CC2)cc(N(C)S(C)(=O)=O)c1)c1ccccc1
Cross References
UniChem384835
canSAR379197
ChEMBLCHEMBL510269
PDBe (Protein Data Bank Europe)0U4
BindingDB50276554
Commercially Available
Unknown


MOLECULAR_WEIGHT ALOGP HBOND_DONORS HBOND_ACCEPTORS ATOMS CONTAINS_TOXICOPHORE
Properties 739.3767407965.1673410106No


Compounds with the same scaffold


Image of compound ID: 379197
Murko Scaffold Family: 1 compoundsClick here to open a new canSAR search with these compounds

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