Piir, G.; Sild, S.; Maran, U. Binary and multi-class classification for androgen receptor agonists, antagonists and binders. Chemosphere 2021, 262, 128313.

Compound

	ID:	e1365
	Name:	Propicillin
	Description:
	Labels:
	CAS:	551-27-9
	InChi Code:	InChI=1S/C18H22N2O5S/c1-4-11(25-10-8-6-5-7-9-10)14(21)19-12-15(22)20-13(17(23)24)18(2,3)26-16(12)20/h5-9,11-13,16H,4H2,1-3H3,(H,19,21)(H,23,24)/t11?,12-,13+,16-/m1/s1

Properties

Agonists: Activity in AR agonist pathway

Value	Source or prediction
inactive	experimental value
inactive	Agonists_model: Agonist model (Evaluation set)