ERK5-IN-2 10mg

CAT: 0628-A18871-10Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0628-A18871-10Size:10 mg

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

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CAS Number

1888305-96-1

Chemical Information

Erk5-IN-2

CAS Number	1888305-96-1
PubChem CID	118959080
IUPAC Name	4-(2-bromo-6-fluorobenzoyl)-N-pyridin-3-yl-1H-pyrrole-2-carboxamide
Molecular Formula	C17H11BrFN3O2
Molecular Weight	388.2
XLogP	2.9
Topological Polar Surface Area	74.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	24
Formal Charge	0
Complexity	479

SMILES

C1=CC(=C(C(=C1)Br)C(=O)C2=CNC(=C2)C(=O)NC3=CN=CC=C3)F

InChI

InChI=1S/C17H11BrFN3O2/c18-12-4-1-5-13(19)15(12)16(23)10-7-14(21-8-10)17(24)22-11-3-2-6-20-9-11/h1-9,21H,(H,22,24)

InChIKey

ATKCERYALDNMPL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1888305-96-1

CID: 118959080

Formula: C17H11BrFN3O2

MW: 388.2

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	388.2
XLogP3	2.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	387.00187
Monoisotopic Mass	387.00187
Topological Polar Surface Area	74.9 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	479
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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