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

1004233 - Overview - Compound Synopsis

Synonyms
Molecular Formula
C42H76N10O13
InChI
InChI=1S/C42H76N10O13/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-26(50-36(58)25(44)17-15-20-49-41(45)46)37(59)48-22-16-21-47-29(39(60)61)34(65-40-33(57)30(54)27(24-43)63-40)35-31(55)32(56)38(64-35)52-23-19-28(53)51-42(52)62/h19,23,25-27,29-35,38,40,47,54-57H,2-18,20-22,24,43-44H2,1H3,(H,48,59)(H,50,58)(H,60,61)(H4,45,46,49)(H,51,53,62)/t25-,26-,27+,29-,30+,31-,32+,33+,34-,35-,38+,40-/m0/s1
Smiles
CCCCCCCCCCCCCCC[C@H](NC(=O)[C@@H](N)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
UniChem27213067
canSAR1004233
ChEMBLCHEMBL1934246
Commercially Available
Unknown


MOLECULAR_WEIGHT ALOGP HBOND_DONORS HBOND_ACCEPTORS ATOMS CONTAINS_TOXICOPHORE
Properties 928.559332492-1.947831723141Yes


Compounds with the same scaffold


Image of compound ID: 1004233
Murko Scaffold Family: 5050 compoundsClick here to open a new canSAR search with these compounds

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