(R)-(3-(3-Fluoro-4-(6-(2-methyl-2H-tetrazol-5-yl)pyridin-3-yl)phenyl)-2-oxooxazolidin-5-yl)methyl di

Introduction

CAS No. :	856867-55-5	MDL No. :	MFCD28098176
Formula :	C17H16FN6O6P	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	QCGUSIANLFXSGE-GFCCVEGCSA-N
M.W :	450.32	Pubchem ID :	11476460
Synonyms :	TR-701FA	Chemical Name :	(R)-(3-(3-Fluoro-4-(6-(2-methyl-2H-tetrazol-5-yl)pyridin-3-yl)phenyl)-2-oxooxazolidin-5-yl)methyl dihydrogen phosphate

Physicochemical Properties

Num. heavy atoms :	31
Num. arom. heavy atoms :	17
Fraction Csp3 :	0.24
Num. rotatable bonds :	6
Num. H-bond acceptors :	11.0
Num. H-bond donors :	2.0
Molar Refractivity :	106.09
TPSA :	162.6 Ų

Pharmacokinetics

GI absorption :	Low
BBB permeant :	No
P-gp substrate :	Yes
CYP1A2 inhibitor :	Yes
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-8.83 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.55
Log Po/w (XLOGP3) :	0.3
Log Po/w (WLOGP) :	1.55
Log Po/w (MLOGP) :	1.01
Log Po/w (SILICOS-IT) :	-0.13
Consensus Log Po/w :	0.85

Druglikeness

Lipinski :	1.0
Ghose :	None
Veber :	1.0
Egan :	1.0
Muegge :	2.0
Bioavailability Score :	0.11

Water Solubility

Log S (ESOL) :	-2.83
Solubility :	0.665 mg/ml ; 0.00148 mol/l
Class :	Soluble
Log S (Ali) :	-3.28
Solubility :	0.238 mg/ml ; 0.000528 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-3.45
Solubility :	0.161 mg/ml ; 0.000357 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	3.96

Signal Word:	Danger	Class:	4.1
Precautionary Statements:	P240-P210-P241-P264-P280-P302+P352-P370+P378-P337+P313-P305+P351+P338-P362+P364-P332+P313	UN#:	1325
Hazard Statements:	H228-H315-H319	Packing Group:	Ⅱ
GHS Pictogram:

Related View all 

• 

  Ghk-Cu

• 

  Gly-His-Lys acetate salt

• 

  N-Phenylacetyl-L-Prolylglycine ethyl ester

• 

  L-Phenylalanyl-L-isoleucine

• 

  L-Isoleucyl-L-phenylalanine

• 

  L-Ala-L-phe

• 

  L-Glutathione Reduced

• 

  L-Alanyl-L-tyrosine