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

1004293 - Overview - Compound Synopsis

Synonyms
Molecular Formula
C48H85N11O16
InChI
InChI=1S/C48H85N11O16/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19-28(55-41(66)29(20-17-22-54-46(50)51)56-47(71)58-32(27(2)3)43(67)68)40(65)53-24-18-23-52-33(44(69)70)38(75-45-37(64)34(61)30(26-49)73-45)39-35(62)36(63)42(74-39)59-25-21-31(60)57-48(59)72/h21,25,27-30,32-39,42,45,52,61-64H,4-20,22-24,26,49H2,1-3H3,(H,53,65)(H,55,66)(H,67,68)(H,69,70)(H4,50,51,54)(H2,56,58,71)(H,57,60,72)/t28-,29-,30+,32-,33-,34+,35-,36+,37+,38-,39-,42+,45-/m0/s1
Smiles
CCCCCCCCCCCCCCC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)N[C@H](C(=O)O)C(C)C)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
UniChem27238533
canSAR1004293
ChEMBLCHEMBL1934088
Commercially Available
Unknown


MOLECULAR_WEIGHT ALOGP HBOND_DONORS HBOND_ACCEPTORS ATOMS CONTAINS_TOXICOPHORE
Properties 1071.61757564-1.498131827160No


Compounds with the same scaffold


Image of compound ID: 1004293
Murko Scaffold Family: 4926 compoundsClick here to open a new canSAR search with these compounds

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