COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL131685
Chemical Name: N-[2-(2,5-dimethoxyphenyl)ethyl]-5-(8-methoxy-4-oxo-2-thioxo-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)pentanamide
Smiles: COc1ccc(c(c1)CCNC(=O)CCCCn1c(=S)[nH]c2c(c1=O)[nH]c1c2cc(cc1)OC)OC

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Molecular Weight: 510.61
Empirical Formula: C26H30N4O5S

Physical State: Dry powder
Available Amount: 20 mg

Lipinsky:
logP: 2.392
Rotatable bonds: 11
H-donors: 3
H-acceptors: 5
PSA: 137
Number of rings: 4

     

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