COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL566529
Chemical Name: (5S,9aR,11E)-9a-(2-aminophenyl)-11-ethylidene-5,6,6a,8,9,9a-hexahydro-5,7-ethanopyrrolo[2,3-h]quinazoline-2(1H)-thione
Smiles: C/C=C\1/CN2CC[C@]3([C@H]2C[C@@H]1c1cnc(=S)[nH]c31)c1ccccc1N

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Molecular Weight: 350.49
Empirical Formula: C20H22N4S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 2.112
Rotatable bonds: 1
H-donors: 3
H-acceptors: 0
PSA: 85
Number of rings: 5

     

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