The Biofilms Structural Database
Name
2-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-~{N}-(4-pyridin-2-yloxyphenyl)ethanamide
Molecular Weight
442.49
Isomeric SMILES
Cn1c2ccccc2c3c1nc(nn3)SCC(=O)Nc4ccc(cc4)Oc5ccccn5
Formula
C23H18N6O2S
Identifiers
Formal Charge
0
InChI
InChI=1S/C23H18N6O2S/c1-29-18-7-3-2-6-17(18)21-22(29)26-23(28-27-21)32-14-19(30)25-15-9-11-16(12-10-15)31-20-8-4-5-13-24-20/h2-13H,14H2,1H3,(H,25,30)
Atom Count
50
InChIKey
ZQQZWZKGMACADA-UHFFFAOYSA-N
PDB codes
6TPR
Type
NON-POLYMER
Chiral Atom Count
Chiral Atoms
n/a
Bond Count
54
Aromatic Bond Count
27
Leaving Atoms