COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK231460
Chemical Name: (2E)-3-(1,3-benzodioxol-5-yl)-N-[(E)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(5-methoxy-1H-indol-3-yl)ethyl]amino}methylidene]prop-2-enamide
Smiles: COc1ccc2c(c1)c(CCN/C(=N\C(=O)/C=C/c1ccc3c(c1)OCO3)/Nc1nc(C)cc(n1)C)c[nH]2

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Molecular Weight: 512.57
Empirical Formula: C28H28N6O4

Physical State: Dry powder
Available Amount: 188 mg

Lipinsky:
logP: 4.969
Rotatable bonds: 6
H-donors: 3
H-acceptors: 4
PSA: 122
Number of rings: 5

     

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