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

1005275 - Overview - Compound Synopsis

Synonyms
Molecular Formula
C39H48F2N4O5
InChI
InChI=1S/C39H48F2N4O5/c1-5-24(2)39(44-25(3)46)16-17-45(38(39)49)34(15-14-26-10-7-6-8-11-26)37(48)43-33(20-27-18-29(40)22-30(41)19-27)36(47)32-21-28-12-9-13-35(50-4)31(28)23-42-32/h6-13,18-19,22,24,32-34,36,42,47H,5,14-17,20-21,23H2,1-4H3,(H,43,48)(H,44,46)/t24?,32-,33-,34-,36+,39-/m0/s1
Smiles
CCC(C)[C@@]1(NC(C)=O)CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@@H]2Cc3cccc(OC)c3CN2)C1=O
Cross References
UniChem27220302
canSAR1005275
ChEMBLCHEMBL1917908
BindingDB50357477
Commercially Available
Unknown


MOLECULAR_WEIGHT ALOGP HBOND_DONORS HBOND_ACCEPTORS ATOMS CONTAINS_TOXICOPHORE
Properties 690.3592770764.23084998No


Compounds with the same scaffold


Image of compound ID: 1005275
Murko Scaffold Family: 12376 compoundsClick here to open a new canSAR search with these compounds

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