Navoximod

CAT: 0127-BUP04830-04Size: 25 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0127-BUP04830-04Size:25 mg

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

1402837-78-8

Synonyms

GDC-0919, NLG-?919

Purity

=98%

Smiles

[H][C@@]1(CC[C@H](O)CC1)[C@H](O)C[C@H]1c2c(cccc2F)-c2cncn12

Chemical Information

trans-4-((1R)-2-((5S)-6-Fluoro-5H-imidazo(5,1-a)isoindol-5-yl)-1-hydroxyethyl)cyclohexanol

Navoximod is under investigation in clinical trial NCT02048709 (Indoleamine 2,3-Dioxygenase (IDO) Inhibitor in Advanced Solid Tumors).

CAS Number	1402837-78-8
PubChem CID	70914230
IUPAC Name	4-[(1R)-2-[(5S)-6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl]-1-hydroxyethyl]cyclohexan-1-ol
Molecular Formula	C18H21FN2O2
Molecular Weight	316.4
XLogP	2.1
Topological Polar Surface Area	58.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	23
Formal Charge	0
Complexity	416

SMILES

C1CC(CCC1[C@@H](C[C@H]2C3=C(C=CC=C3F)C4=CN=CN24)O)O

InChI

InChI=1S/C18H21FN2O2/c19-14-3-1-2-13-16-9-20-10-21(16)15(18(13)14)8-17(23)11-4-6-12(22)7-5-11/h1-3,9-12,15,17,22-23H,4-8H2/t11?,12?,15-,17+/m0/s1

InChIKey

YGACXVRLDHEXKY-LHPNLFKDSA-N

Chemical Structure

2D Structure

CAS: 1402837-78-8

CID: 70914230

Formula: C18H21FN2O2

MW: 316.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	316.4
XLogP3	2.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	316.15870608
Monoisotopic Mass	316.15870608
Topological Polar Surface Area	58.3 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	416
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes