CP-609754

CAT: 0607-BA7706-5Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0607-BA7706-5Size:5 mg

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

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CAS Number

1190094-64-4

Form

A solid

Molecular Formula

C29H22ClN3O2

Molecular Weight

479.96

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

Cp-609754

LNK 754 has been investigated in Mild Alzheimer's Disease.

CAS Number	1190094-64-4
PubChem CID	46208720
IUPAC Name	6-[(R)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(3-ethynylphenyl)-1-methylquinolin-2-one
Molecular Formula	C29H22ClN3O2
Molecular Weight	480.0
XLogP	4
Topological Polar Surface Area	58.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Heavy Atom Count	35
Formal Charge	0
Complexity	874

SMILES

CN1C=NC=C1[C@@](C2=CC=C(C=C2)Cl)(C3=CC4=C(C=C3)N(C(=O)C=C4C5=CC=CC(=C5)C#C)C)O

InChI

InChI=1S/C29H22ClN3O2/c1-4-19-6-5-7-20(14-19)24-16-28(34)33(3)26-13-10-22(15-25(24)26)29(35,27-17-31-18-32(27)2)21-8-11-23(30)12-9-21/h1,5-18,35H,2-3H3/t29-/m1/s1

InChIKey

JAHDAIPFBPPQHQ-GDLZYMKVSA-N

Chemical Structure

2D Structure

CAS: 1190094-64-4

CID: 46208720

Formula: C29H22ClN3O2

MW: 480.0

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	480.0
XLogP3	4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	479.1400546
Monoisotopic Mass	479.1400546
Topological Polar Surface Area	58.4 Å²
Heavy Atom Count	35
Formal Charge	0
Complexity	874
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
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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