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

1210669 - Overview - Compound Synopsis

Synonyms
Molecular Formula
C42H75N9O13
InChI
InChI=1S/C42H75N9O13/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-28(52)49-26(18-16-21-48-41(44)45)37(58)47-23-17-22-46-30(39(59)60)35(64-40-34(57)31(54)27(25-43)62-40)36-32(55)33(56)38(63-36)51-24-20-29(53)50-42(51)61/h20,24,26-27,30-36,38,40,46,54-57H,2-19,21-23,25,43H2,1H3,(H,47,58)(H,49,52)(H,59,60)(H4,44,45,48)(H,50,53,61)/t26-,27+,30-,31+,32-,33+,34+,35-,36-,38+,40-/m0/s1
Smiles
CCCCCCCCCCCCCCCCC(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCCN[C@H](C(=O)O)[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
UniChem98078448
canSAR1210669
ChEMBLCHEMBL3288185
Commercially Available
Unknown


MOLECULAR_WEIGHT ALOGP HBOND_DONORS HBOND_ACCEPTORS ATOMS CONTAINS_TOXICOPHORE
Properties 913.54843346-0.885031522139Yes


Compounds with the same scaffold


Image of compound ID: 1210669
Murko Scaffold Family: 68 compoundsClick here to open a new canSAR search with these compounds

Maximum number shown here is 12