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

754459 - Overview - Compound Synopsis

Synonyms
PGD
Molecular Formula
C20H24N10O13P2S2
InChI
InChI=1S/C20H24N10O13P2S2/c21-19-26-13-7(15(33)28-19)24-6-12(47)11(46)5(41-17(6)25-13)2-40-45(37,38)43-44(35,36)39-1-4-9(31)10(32)18(42-4)30-3-23-8-14(30)27-20(22)29-16(8)34/h3-6,9-10,17-18,31-32,46-47H,1-2H2,(H,35,36)(H,37,38)(H3,22,27,29,34)(H3,21,25,26,28,33)/t4-,5-,6+,9-,10-,17-,18-/m1/s1
Smiles
NC1=NC(=O)C2=N[C@H]3C(S)=C(S)[C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@H]4O[C@@H](n5cnc6c(=O)[nH]c(N)nc65)[C@H](O)[C@@H]4O)O[C@H]3NC2=N1
Cross References
UniChem638508
canSAR754459
PDBe (Protein Data Bank Europe)PGD
ChEMBLCHEMBL1235258
Commercially Available
Unknown


MOLECULAR_WEIGHT ALOGP HBOND_DONORS HBOND_ACCEPTORS ATOMS CONTAINS_TOXICOPHORE
Properties 738.044096088-2.9661102371Yes


Compounds with the same scaffold


Image of compound ID: 754459
Murko Scaffold Family: 4 compoundsClick here to open a new canSAR search with these compounds

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