MK2a inhibitor

MK2a inhibitor

CAS: 41179-33-3

Formula: C22H20FNO2

SMILES: OC1=CC=C(NC(=O)CCCC2=CC=C(C=C2)C2=CC=CC=C2F)C=C1

IUPAC: 4-{2'-fluoro-[1,1'-biphenyl]-4-yl}-N-(4-hydroxyphenyl)butanamide

InChI: InChI=1S/C22H20FNO2/c23-21-6-2-1-5-20(21)17-10-8-16(9-11-17)4-3-7-22(26)24-18-12-14-19(25)15-13-18/h1-2,5-6,8-15,25H,3-4,7H2,(H,24,26)

Composition: C (75.63%), H (5.77%), F (5.44%), N (4.01%), O (9.16%)

Molar Mass: 349.405

Atom Count: 46

Heavy Atom Count: 26

Properties

Properties

Common Names	MK2a inhibitor
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	349.147807051
Formal Charge	0
FSP3	0.14
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	ODYAQBDIXCVKAE-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	102.18
Topological Polar Surface Area	49.33
Polarizability	39.7
Ring Count	3
Rotatable Bond Count	6

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