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BAY-1895344 10mg

CAT: 0628-A19454-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0628-A19454-10Size:10 mg
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CAS Number
1876467-74-1

Chemical Information

Elimusertib

Elimusertib is under investigation in clinical trial NCT05071209 (Elimusertib for the Treatment of Relapsed or Refractory Solid Tumors).

CAS Number1876467-74-1
PubChem CID118869362
IUPAC Name(3R)-3-methyl-4-[4-(2-methylpyrazol-3-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
Molecular FormulaC20H21N7O
Molecular Weight375.4
XLogP1.6
Topological Polar Surface Area84.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count28
Formal Charge0
Complexity537
SMILES
C[C@@H]1COCCN1C2=NC3=C(C=CN=C3C4=CC=NN4)C(=C2)C5=CC=NN5C
InChI
InChI=1S/C20H21N7O/c1-13-12-28-10-9-27(13)18-11-15(17-5-8-23-26(17)2)14-3-6-21-20(19(14)24-18)16-4-7-22-25-16/h3-8,11,13H,9-10,12H2,1-2H3,(H,22,25)/t13-/m1/s1
InChIKey
YBXRSCXGRPSTMW-CYBMUJFWSA-N
Chemical Structure
2D Structure
2D structure of Elimusertib
CAS: 1876467-74-1
CID: 118869362
Formula: C20H21N7O
MW: 375.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight375.4
XLogP31.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass375.18075832
Monoisotopic Mass375.18075832
Topological Polar Surface Area84.8 Ų
Heavy Atom Count28
Formal Charge0
Complexity537
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
BB178556-01BAY-1895344
B1962-5BAY-1895344 hydrochloride
C14510-25mgElimusertib (BAY-1895344)
206822BAY-1895344 HCl

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