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

752354 - Overview - Compound Synopsis

Synonyms
SFD
Molecular Formula
C27H35N9O18P2S
InChI
InChI=1S/C27H35N9O18P2S/c1-10-3-12-13(4-11(10)2)36(57(48,49)50)18-24(32-27(43)33-25(18)42)34(12)5-14(37)19(39)15(38)6-51-55(44,45)54-56(46,47)52-7-16-20(40)21(41)26(53-16)35-9-31-17-22(28)29-8-30-23(17)35/h3-4,8-9,14-16,18-21,26,37-41H,5-7H2,1-2H3,(H,44,45)(H,46,47)(H2,28,29,30)(H,33,42,43)(H,48,49,50)/t14-,15+,16+,18-,19-,20+,21+,26+/m0/s1
Smiles
Cc1cc2c(cc1C)N(S(=O)(=O)O)[C@@H]1C(=O)NC(=O)N=C1N2C[C@H](O)[C@H](O)[C@H](O)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O
Cross References
UniChem640586
canSAR752354
PDBe (Protein Data Bank Europe)SFD
ChEMBLCHEMBL1235908
Commercially Available
Unknown


MOLECULAR_WEIGHT ALOGP HBOND_DONORS HBOND_ACCEPTORS ATOMS CONTAINS_TOXICOPHORE
Properties 867.12959954-2.87586112792No


Compounds with the same scaffold


Image of compound ID: 752354
Murko Scaffold Family: 16972 compoundsClick here to open a new canSAR search with these compounds

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