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

1220156 - Overview - Compound Synopsis

Synonyms
Molecular Formula
C47H87N13O12
InChI
InChI=1S/C47H87N13O12/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21-32(61)58-30(20-18-25-57-46(51)52)41(67)54-27-19-26-53-34(42(68)55-23-16-17-24-56-45(49)50)39(72-44-38(66)35(63)31(29-48)70-44)40-36(64)37(65)43(71-40)60-28-22-33(62)59-47(60)69/h22,28,30-31,34-40,43-44,53,63-66H,2-21,23-27,29,48H2,1H3,(H,54,67)(H,55,68)(H,58,61)(H4,49,50,56)(H4,51,52,57)(H,59,62,69)/t30-,31+,34-,35+,36-,37+,38+,39-,40-,43+,44-/m0/s1
Smiles
CCCCCCCCCCCCCCCCC(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCCN[C@H](C(=O)NCCCCNC(=N)N)[C@H](O[C@@H]1O[C@H](CN)[C@@H](O)[C@H]1O)[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O
Cross References
UniChem98015614
canSAR1220156
ChEMBLCHEMBL3288188
Commercially Available
Unknown


MOLECULAR_WEIGHT ALOGP HBOND_DONORS HBOND_ACCEPTORS ATOMS CONTAINS_TOXICOPHORE
Properties 1025.659715224-1.590161925159Yes


Compounds with the same scaffold


Image of compound ID: 1220156
Murko Scaffold Family: 68 compoundsClick here to open a new canSAR search with these compounds

Maximum number shown here is 12