PKR Inhibitor

CAT: 0024-sc-204200ASize: 50 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-204200ASize:50 mg

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CAS Number

608512-97-6

Chemical Information

Imidazolo-oxindole PKR inhibitor C16

C16 is pKR Inhibitor.

CAS Number	608512-97-6
PubChem CID	6490494
IUPAC Name	(8Z)-8-(1H-imidazol-5-ylmethylidene)-6H-pyrrolo[2,3-g][1,3]benzothiazol-7-one
Molecular Formula	C13H8N4OS
Molecular Weight	268.30
XLogP	1.5
Topological Polar Surface Area	98.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Heavy Atom Count	19
Formal Charge	0
Complexity	427

SMILES

C1=CC2=C(C\3=C1NC(=O)/C3=C\C4=CN=CN4)SC=N2

InChI

InChI=1S/C13H8N4OS/c18-13-8(3-7-4-14-5-15-7)11-9(17-13)1-2-10-12(11)19-6-16-10/h1-6H,(H,14,15)(H,17,18)/b8-3-

InChIKey

VFBGXTUGODTSPK-BAQGIRSFSA-N

Chemical Structure

2D Structure

CAS: 608512-97-6

CID: 6490494

Formula: C13H8N4OS

MW: 268.30

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	268.30
XLogP3	1.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	268.04188206
Monoisotopic Mass	268.04188206
Topological Polar Surface Area	98.9 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	427
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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