CAS
94572-68-6 Purity
96%
94572-68-6 Purity
96%
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Glycine,N-[[1-cyano-7-(2,6-dimethylphenoxy)-4-hydroxy-3-isoquinolinyl]carbonyl]-
CAS
945739-86-6
Catalog Number
ACM945739866
Category
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What is the molecular formula of the compound containing Glycine?
The molecular formula of the compound containing Glycine is C21H17N3O5.
What is the molecular weight of the compound?
The molecular weight of the compound is 391.4 g/mol.
What is the IUPAC name of the compound?
The IUPAC name of the compound is 2-[[1-cyano-7-(2,6-dimethylphenoxy)-4-hydroxyisoquinoline-3-carbonyl]amino]acetic acid.
What is the InChIKey of the compound?
The InChIKey of the compound is HLLVEWCXEKIHLI-UHFFFAOYSA-N.
What is the canonical SMILES notation of the compound?
The canonical SMILES notation of the compound is CC1=C(C(=CC=C1)C)OC2=CC3=C(C=C2)C(=C(N=C3C#N)C(=O)NCC(=O)O).
How many hydrogen bond donor counts does the compound have?
The compound has 3 hydrogen bond donor counts.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value of the compound is 3.8.
What is the topological polar surface area of the compound?
The topological polar surface area of the compound is 133 Å^2.
How many rotatable bonds does the compound have?
The compound has 5 rotatable bonds.
Is the compound canonicalized?
Yes, the compound is canonicalized according to PubChem.
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945743-60-2 Purity
96%
945743-60-2 Purity
96%
