SBI-553 50mg

CAT: 0628-A18435-50Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0628-A18435-50Size:50 mg

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CAS Number

1849603-72-0

Chemical Information

2-((2-(1-Fluorocyclopropyl)-4-(4-(2-methoxyphenyl)piperidin-1-yl)quinazolin-6-yl)(methyl)amino)ethan-1-ol

CAS Number	1849603-72-0
PubChem CID	118610427
IUPAC Name	2-[[2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol
Molecular Formula	C26H31FN4O2
Molecular Weight	450.5
XLogP	4.2
Topological Polar Surface Area	61.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	7
Heavy Atom Count	33
Formal Charge	0
Complexity	642

SMILES

CN(CCO)C1=CC2=C(C=C1)N=C(N=C2N3CCC(CC3)C4=CC=CC=C4OC)C5(CC5)F

InChI

InChI=1S/C26H31FN4O2/c1-30(15-16-32)19-7-8-22-21(17-19)24(29-25(28-22)26(27)11-12-26)31-13-9-18(10-14-31)20-5-3-4-6-23(20)33-2/h3-8,17-18,32H,9-16H2,1-2H3

InChIKey

BLWXTJQMEBQCIZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1849603-72-0

CID: 118610427

Formula: C26H31FN4O2

MW: 450.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	450.5
XLogP3	4.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	7
Exact Mass	450.24310441
Monoisotopic Mass	450.24310441
Topological Polar Surface Area	61.7 Å²
Heavy Atom Count	33
Formal Charge	0
Complexity	642
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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BA5627-50	SBI-553
TBI4449-25MG	SBI-553, ß-Arrestin-biased NTSR1 modulator
HY-16903-01	MS-553
M15691	JTT-553
GAA26556-01	MHY 553

SBI-553 50mg

Chemical Information

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