RKI-1447 5mg

CAT: 0628-A13067-5Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0628-A13067-5Size:5 mg

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

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CAS Number

1342278-01-6

Chemical Information

Rki-1447

an antineoplastic agent that inhibits ROCK1 and ROCK2; structure in first source

CAS Number	1342278-01-6
PubChem CID	60138149
IUPAC Name	1-[(3-hydroxyphenyl)methyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea
Molecular Formula	C16H14N4O2S
Molecular Weight	326.4
XLogP	2
Topological Polar Surface Area	115
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Heavy Atom Count	23
Formal Charge	0
Complexity	392

SMILES

C1=CC(=CC(=C1)O)CNC(=O)NC2=NC(=CS2)C3=CC=NC=C3

InChI

InChI=1S/C16H14N4O2S/c21-13-3-1-2-11(8-13)9-18-15(22)20-16-19-14(10-23-16)12-4-6-17-7-5-12/h1-8,10,21H,9H2,(H2,18,19,20,22)

InChIKey

GDVRVPIXWXOKQO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1342278-01-6

CID: 60138149

Formula: C16H14N4O2S

MW: 326.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	326.4
XLogP3	2
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	326.08374688
Monoisotopic Mass	326.08374688
Topological Polar Surface Area	115 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	392
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
A3771-50	RKI-1447