COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK527843
Chemical Name: 3-{[(1E,2Z)-2-benzylideneheptylidene]amino}-8-methoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
Smiles: CCCCC/C(=C/c1ccccc1)/C=N/n1c(=O)[nH]c2c(c1=O)[nH]c1c2cc(cc1)OC

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Molecular Weight: 430.51
Empirical Formula: C25H26N4O3

Physical State: Dry powder
Available Amount: 310 mg

Lipinsky:
logP: 5.923
Rotatable bonds: 7
H-donors: 2
H-acceptors: 3
PSA: 86
Number of rings: 4

     

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