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

1103536 - Overview - Compound Synopsis

Synonyms
CNA
Molecular Formula
C22H30N7O13P2+
InChI
InChI=1S/C22H29N7O13P2/c23-19-14-21(26-8-25-19)29(9-27-14)22-18(33)17(32)13(41-22)7-40-44(37,38)42-43(35,36)39-6-11-4-12(16(31)15(11)30)28-3-1-2-10(5-28)20(24)34/h1-3,5,8-9,11-13,15-18,22,30-33H,4,6-7H2,(H5-,23,24,25,26,34,35,36,37,38)/p+1/t11-,12-,13-,15-,16+,17-,18-,22-/m1/s1
Smiles
NC(=O)c1ccc[n+](C2CC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)c1
Cross References
UniChem32025375
canSAR1103536
PDBe (Protein Data Bank Europe)CNA
Commercially Available
Unknown


MOLECULAR_WEIGHT ALOGP HBOND_DONORS HBOND_ACCEPTORS ATOMS CONTAINS_TOXICOPHORE
Properties 662.13713370009-2.3523102074No


Compounds with the same scaffold


Image of compound ID: 1103536
Murko Scaffold Family: 16972 compoundsClick here to open a new canSAR search with these compounds

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