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EW-7197 (Vactosertib) 1g

CAT: 0628-A14213-1000Size: 1000 mgDry Ice: NoHazardous: No
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CAT#:0628-A14213-1000Size:1000 mg
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CAS Number
1352608-82-2

Chemical Information

Vactosertib

Vactosertib is under investigation in clinical trial NCT03724851 (Vactosertib in Combination With Pembrolizumab in Metastatic Colorectal or Gastric Cancer).

CAS Number1352608-82-2
PubChem CID54766013
IUPAC Name2-fluoro-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]aniline
Molecular FormulaC22H18FN7
Molecular Weight399.4
XLogP3.2
Topological Polar Surface Area83.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count30
Formal Charge0
Complexity566
SMILES
CC1=NC(=CC=C1)C2=C(N=C(N2)CNC3=CC=CC=C3F)C4=CN5C(=NC=N5)C=C4
InChI
InChI=1S/C22H18FN7/c1-14-5-4-8-18(27-14)22-21(15-9-10-20-25-13-26-30(20)12-15)28-19(29-22)11-24-17-7-3-2-6-16(17)23/h2-10,12-13,24H,11H2,1H3,(H,28,29)
InChIKey
FJCDSQATIJKQKA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Vactosertib
CAS: 1352608-82-2
CID: 54766013
Formula: C22H18FN7
MW: 399.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight399.4
XLogP33.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass399.16077177
Monoisotopic Mass399.16077177
Topological Polar Surface Area83.8 Ų
Heavy Atom Count30
Formal Charge0
Complexity566
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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S7530-5mgVactosertib (TEW-7197)
MBS131425EW-7197 (EW7197; EW 7197)
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