CBR-3465

CAT: 0931-T61035-02Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0931-T61035-02Size:50 mg

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CAS Number

2225883-59-8

Target

Others, Antibacterial

Related Pathways

Others, Microbiology/Virology

Bioactivity

CBR-3465 is an inhibitor of mycobacterium tuberculosis (Mtb) type II NADH dehydrogenase. The MIC of CBR-3465 against Mtb is 0.16 μM [1].

Smiles

O=C1C=2C(NC(SCC(NC3CCCCC3)=O)=N1)=CC=CC2F

Molecular Formula

C16H18FN3O2S

Molecular Weight

335.4

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

N-cyclohexyl-2-[(5-fluoro-4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide

CAS Number	2225883-59-8
PubChem CID	163322338
IUPAC Name	N-cyclohexyl-2-[(5-fluoro-4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide
Molecular Formula	C16H18FN3O2S
Molecular Weight	335.4
XLogP	2.9
Topological Polar Surface Area	95.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Heavy Atom Count	23
Formal Charge	0
Complexity	494

SMILES

C1CCC(CC1)NC(=O)CSC2=NC3=C(C(=CC=C3)F)C(=O)N2

InChI

InChI=1S/C16H18FN3O2S/c17-11-7-4-8-12-14(11)15(22)20-16(19-12)23-9-13(21)18-10-5-2-1-3-6-10/h4,7-8,10H,1-3,5-6,9H2,(H,18,21)(H,19,20,22)

InChIKey

HBPSYXBVWOLSEP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2225883-59-8

CID: 163322338

Formula: C16H18FN3O2S

MW: 335.4

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	335.4
XLogP3	2.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	335.11037616
Monoisotopic Mass	335.11037616
Topological Polar Surface Area	95.9 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	494
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

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T62584-01	CBR Agonist-2
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Catalog	Name
MBS5803748	CBR-3465
KHA99107-01	AMD 3465
MBS132586-01	AMD 3465 Hexahydrobromide
bs-6432C-01	AMD-3465 hexahydrobromide
HY-15971AR-01	AMD 3465 (Standard)
HY-15971-01	AMD 3465 (hexahydrobromide)

CBR-3465

Chemical Information

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