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BAY 2416964 1mg

CAT: 0628-A22067-1Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0628-A22067-1Size:1 mg
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CAS Number
2242464-44-2

Chemical Information

Bay 2416964

Ilantimod is a small molecule drug. The usage of the INN stem '-imod' in the name indicates that Ilantimod is a immunomodulator, both stimulant/suppressive and stimulant. Ilantimod has a monoisotopic molecular weight of 387.11 Da.

CAS Number2242464-44-2
PubChem CID135303769
IUPAC Name6-(4-chlorophenyl)-N-[(2S)-1-hydroxypropan-2-yl]-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide
Molecular FormulaC18H18ClN5O3
Molecular Weight387.8
XLogP1.7
Topological Polar Surface Area99.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count27
Formal Charge0
Complexity645
SMILES
C[C@@H](CO)NC(=O)C1=CC(=NN(C1=O)C2=CN(N=C2)C)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C18H18ClN5O3/c1-11(10-25)21-17(26)15-7-16(12-3-5-13(19)6-4-12)22-24(18(15)27)14-8-20-23(2)9-14/h3-9,11,25H,10H2,1-2H3,(H,21,26)/t11-/m0/s1
InChIKey
YAGSZKAJPHGVOV-NSHDSACASA-N
Chemical Structure
2D Structure
2D structure of Bay 2416964
CAS: 2242464-44-2
CID: 135303769
Formula: C18H18ClN5O3
MW: 387.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight387.8
XLogP31.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass387.1098171
Monoisotopic Mass387.1098171
Topological Polar Surface Area99.8 Ų
Heavy Atom Count27
Formal Charge0
Complexity645
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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