COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK596039
Chemical Name: (4E)-2-(3-methoxyphenyl)-4-[(pyrimidin-2-ylamino)methylidene]isoquinoline-1,3(2H,4H)-dione
Smiles: COc1cccc(c1)N1C(=O)/C(=C/Nc2ncccn2)/c2c(C1=O)cccc2

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Molecular Weight: 372.38
Empirical Formula: C21H16N4O3

Physical State: Dry powder
Available Amount: 321 mg

Lipinsky:
logP: 2.269
Rotatable bonds: 1
H-donors: 1
H-acceptors: 3
PSA: 84
Number of rings: 4

     

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