COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL162039
Chemical Name: 3-[2-(4-methoxyphenyl)ethyl]-2-methyl-11-{[(E)-thiophen-2-ylmethylidene]amino}-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
Smiles: COc1ccc(cc1)CCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2/N=C/c1cccs1

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Molecular Weight: 494.58
Empirical Formula: C27H22N6O2S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.623
Rotatable bonds: 4
H-donors: 0
H-acceptors: 2
PSA: 113
Number of rings: 6

     

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