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LAS191954

CAT: 0013-GTR19206434-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19206434-02Size:50 mg
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Description
LAS191954
CAS Number
1403947-26-1
Field of Research
Signal Transduction
Smiles
[C@H] (NC=1C (C#N) =C (N) N=CN1) (C) C=2N (C (=O) C=3N (N2) C=CC3C#N) C4=CC=CC=C4
Molecular Formula
C20H15N9O
Molecular Weight
397.39
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Las-191954
CAS Number1403947-26-1
PubChem CID70675172
IUPAC Name2-[(1S)-1-[(6-amino-5-cyanopyrimidin-4-yl)amino]ethyl]-4-oxo-3-phenylpyrrolo[2,1-f][1,2,4]triazine-5-carbonitrile
Molecular FormulaC20H15N9O
Molecular Weight397.4
XLogP2.3
Topological Polar Surface Area149
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Heavy Atom Count30
Formal Charge0
Complexity789
SMILES
C[C@@H](C1=NN2C=CC(=C2C(=O)N1C3=CC=CC=C3)C#N)NC4=NC=NC(=C4C#N)N
InChI
InChI=1S/C20H15N9O/c1-12(26-18-15(10-22)17(23)24-11-25-18)19-27-28-8-7-13(9-21)16(28)20(30)29(19)14-5-3-2-4-6-14/h2-8,11-12H,1H3,(H3,23,24,25,26)/t12-/m0/s1
InChIKey
QUMWKKVIZAIAHU-LBPRGKRZSA-N
Chemical Structure
2D Structure
2D structure of Las-191954
CAS: 1403947-26-1
CID: 70675172
Formula: C20H15N9O
MW: 397.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight397.4
XLogP32.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Exact Mass397.13995614
Monoisotopic Mass397.13995614
Topological Polar Surface Area149 Ų
Heavy Atom Count30
Formal Charge0
Complexity789
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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