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

1004487 - Overview - Compound Synopsis

Synonyms
Molecular Formula
C35H45N6O8PS
InChI
InChI=1S/C35H45N6O8PS/c1-24(2)29(36)35(44)51-19-9-17-49-50(45,23-46-18-14-41-22-40-30-32(37)38-21-39-33(30)41)48-16-8-15-47-34(43)25(3)27-12-7-13-28(20-27)31(42)26-10-5-4-6-11-26/h4-7,10-13,20-22,24-25,29H,8-9,14-19,23,36H2,1-3H3,(H2,37,38,39)/t25?,29-,50?/m0/s1
Smiles
CC(C(=O)OCCCOP(=O)(COCCn1cnc2c(N)ncnc21)OCCCSC(=O)[C@@H](N)C(C)C)c1cccc(C(=O)c2ccccc2)c1
Cross References
UniChem27257868
canSAR1004487
ChEMBLCHEMBL1944996
Commercially Available
Unknown


MOLECULAR_WEIGHT ALOGP HBOND_DONORS HBOND_ACCEPTORS ATOMS CONTAINS_TOXICOPHORE
Properties 740.275720035.210141496No


Compounds with the same scaffold


Image of compound ID: 1004487
Murko Scaffold Family: 16981 compoundsClick here to open a new canSAR search with these compounds

Maximum number shown here is 12

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