COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK529400
Chemical Name: 3-{[(1E,2E)-3-(1,3-benzodioxol-5-yl)-2-methylprop-2-en-1-ylidene]amino}-8-methoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
Smiles: COc1ccc2c(c1)c1[nH]c(=O)n(c(=O)c1[nH]2)/N=C/C(=C/c1ccc2c(c1)OCO2)/C

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Molecular Weight: 418.41
Empirical Formula: C22H18N4O5

Physical State: Dry powder
Available Amount: 289 mg

Lipinsky:
logP: 3.919
Rotatable bonds: 4
H-donors: 2
H-acceptors: 5
PSA: 105
Number of rings: 5

     

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