Compound 917

Canonical SMILES:

CC(=O)NC[C@H]1CN(C(=O)O1)c2ccc(cc2)c3scnc3

IUPAC name:

N-({(5S)-2-oxo-3-[4-(1,3-thiazol-5-yl)phenyl]-1,3-oxazolidin-5-yl}methyl)acetamide

InChi:

InChI=1S/C15H15N3O3S/c1-10(19)17-6-13-8-18(15(20)21-13)12-4-2-11(3-5-12)14-7-16-9-22-14/h2-5,7,9,13H,6,8H2,1H3,(H,17,19)/t13-/m0/s1

SMARTS:

[#6]-[#6](=[#8])-[#7]-[#6]-[#6@H]1-[#6]-[#7](-[#6](=[#8])-[#8]-1)-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6]1:[#16]:[#6]:[#7]:[#6]:1

Lipinski's RO5	Veber	Pfizer's 3/75

PDB code	Deposition date	Reference publication
5v7q	March 20, 2017	Yang Kailu, Chang Jeng-Yih, Cui Zhicheng, Li Xiaojun, Meng Ran, Duan Lijun, Thongchol Jirapat, Jakana Joanita, Huwe Christoph M., Sacchettini James C., Zhang Junjie. 2017. Structural insights into species-specific features of the ribosome from the human pathogen Mycobacterium tuberculosis Nucleic Acids Research

Descriptor	Lipinski's RO5	Veber	Pfizer's 3/75
MW	≤ 500 g/mol	-	-
AlogP	≤ 5	-	≤ 3
HBA	≤ 10	-	-
HBD	≤ 5	-	-
(HBA + HBD)	-	≤ 12	-
TPSA	-	≤ 140 Å²	≥ 75 Å²
RB	-	≤ 10	-

HARIBOSS