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

1012707 - Overview - Compound Synopsis

Synonyms
Molecular Formula
C27H31N3O4S
InChI
InChI=1S/C27H31N3O4S/c1-25-9-7-16(31)12-15(25)5-6-17-18-8-10-27(34,26(18,2)13-20(32)22(17)25)21(33)14-35-24-29-19-4-3-11-28-23(19)30-24/h3-4,7,9,11-12,17-18,20,22,32,34H,5-6,8,10,13-14H2,1-2H3,(H,28,29,30)/t17-,18-,20-,22+,25-,26-,27-/m0/s1
Smiles
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CSc1nc2ncccc2[nH]1
Cross References
UniChem27251388
canSAR1012707
ChEMBLCHEMBL1940554
BindingDB50362471
Commercially Available
Unknown


MOLECULAR_WEIGHT ALOGP HBOND_DONORS HBOND_ACCEPTORS ATOMS CONTAINS_TOXICOPHORE
Properties 493.2035274723.62893766Yes


Compounds with the same scaffold


Image of compound ID: 1012707
Murko Scaffold Family: 3150 compoundsClick here to open a new canSAR search with these compounds

Maximum number shown here is 12