SMER3

CAT: 0926-SCA20034-02Size: 0.5 gDry Ice: NoHazardous: No

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CAT#:0926-SCA20034-02Size:0.5 g

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CAS Number

67200-34-4

MDL Number

MFCD00451458

Smiles

C1=CC=C2C (=C1) C3=NC4=NON=C4N=C3C2=O

Molecular Formula

C11H4N4O2

Molecular Weight

224.18 g/mol

Controlled

Chemical Information

Smer3

LSM-42773 is an aromatic ketone.

CAS Number	67200-34-4
PubChem CID	568763
IUPAC Name	13-oxa-10,12,14,16-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11,14-heptaen-8-one
Molecular Formula	C11H4N4O2
Molecular Weight	224.17
XLogP	1.2
Topological Polar Surface Area	81.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	0
Heavy Atom Count	17
Formal Charge	0
Complexity	350

SMILES

C1=CC=C2C(=C1)C3=NC4=NON=C4N=C3C2=O

InChI

InChI=1S/C11H4N4O2/c16-9-6-4-2-1-3-5(6)7-8(9)13-11-10(12-7)14-17-15-11/h1-4H

InChIKey

SFSSAKVWCKFRHE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 67200-34-4

CID: 568763

Formula: C11H4N4O2

MW: 224.17

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	224.17
XLogP3	1.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	0
Exact Mass	224.03342538
Monoisotopic Mass	224.03342538
Topological Polar Surface Area	81.8 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	350
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
BS162785-01	SMER 28

Catalog	Name
562487	SMER3
TBI1356-25MG	SMER3, E3 Ubiquitin ligase inhibitor