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

1221894 - Overview - Compound Synopsis

Synonyms
Molecular Formula
C41H75N9O11
InChI
InChI=1S/C41H75N9O11/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-28(51)45-23-18-24-46-30(37(57)47-21-16-17-22-48-40(43)44)35(61-39-34(56)31(53)27(26-42)59-39)36-32(54)33(55)38(60-36)50-25-20-29(52)49-41(50)58/h20,25,27,30-36,38-39,46,53-56H,2-19,21-24,26,42H2,1H3,(H,45,51)(H,47,57)(H4,43,44,48)(H,49,52,58)/t27-,30+,31-,32+,33-,34-,35+,36+,38-,39+/m1/s1
Smiles
CCCCCCCCCCCCCCCCC(=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
UniChem98015613
canSAR1221894
ChEMBLCHEMBL3288186
Commercially Available
Unknown


MOLECULAR_WEIGHT ALOGP HBOND_DONORS HBOND_ACCEPTORS ATOMS CONTAINS_TOXICOPHORE
Properties 869.55860422-0.338229999999991420136Yes


Compounds with the same scaffold


Image of compound ID: 1221894
Murko Scaffold Family: 68 compoundsClick here to open a new canSAR search with these compounds

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