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

1407119 - Overview - Compound Synopsis

Synonyms
Molecular Formula
C42H44CoN4O16+2
InChI
InChI=1S/C42H44N4O16.Co/c1-41(17-39(59)60)23(5-9-35(51)52)29-14-27-21(11-37(55)56)19(3-7-33(47)48)25(43-27)13-26-20(4-8-34(49)50)22(12-38(57)58)28(44-26)15-31-42(2,18-40(61)62)24(6-10-36(53)54)30(46-31)16-32(41)45-29;/h13-16,24,32H,3-12,17-18H2,1-2H3,(H,47,48)(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60)(H,61,62);/q-4;+6/b25-13-,27-14-,30-16-,31-15-;/t24-,32-,41+,42+;/m1./s1
Smiles
C[C@@]1(CC(=O)O)C2=Cc3c(CC(=O)O)c(CCC(=O)O)c4n3[Co+2]35N2C(=C[C@H]2N3C(=C(CCC(=O)O)[C@]2(C)CC(=O)O)C=c2c(CC(=O)O)c(CCC(=O)O)c(n25)=C4)[C@H]1CCC(=O)O
Cross References
UniChem1044955
canSAR1407119
ChEMBLCHEMBL1738897
Commercially Available
Unknown


MOLECULAR_WEIGHT ALOGP HBOND_DONORS HBOND_ACCEPTORS ATOMS CONTAINS_TOXICOPHORE
Properties 919.207329168181.5385820107Yes


Compounds with the same scaffold


Image of compound ID: 1407119
Murko Scaffold Family: 1 compoundsClick here to open a new canSAR search with these compounds

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