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

749996 - Overview - Compound Synopsis

Synonyms
TTD
Molecular Formula
C20H28N4O15P2
InChI
InChI=1S/C20H28N4O15P2/c1-19-13-14-20(19,2)16(27)22-18(29)24(14)12-4-8(10(38-12)6-35-40(30,31)32)39-41(33,34)36-5-9-7(25)3-11(37-9)23(13)17(28)21-15(19)26/h7-14,25H,3-6H2,1-2H3,(H,33,34)(H,21,26,28)(H,22,27,29)(H2,30,31,32)/t7-,8-,9+,10+,11+,12+,13+,14-,19-,20+/m0/s1
Smiles
C[C@@]12C(=O)NC(=O)N3[C@@H]1[C@@H]1N(C(=O)NC(=O)[C@@]12C)[C@H]1C[C@H](O[P@](=O)(O)OC[C@H]2O[C@@H]3C[C@@H]2O)[C@@H](COP(=O)(O)O)O1
Cross References
UniChem635476
canSAR749996
PDBe (Protein Data Bank Europe)TTD
ChEMBLCHEMBL1236431
Commercially Available
Unknown


MOLECULAR_WEIGHT ALOGP HBOND_DONORS HBOND_ACCEPTORS ATOMS CONTAINS_TOXICOPHORE
Properties 626.102639456-1.930661969Yes


Compounds with the same scaffold


Image of compound ID: 749996
Murko Scaffold Family: 1 compoundsClick here to open a new canSAR search with these compounds

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