COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK945133
Chemical Name: 2-[3-(9,10,11,12-tetrahydro-8H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)propyl]-1H-isoindole-1,3(2H)-dione
Smiles: O=C1N(CCCc2nc3n(n2)cnc2c3c3CCCCCc3s2)C(=O)c2c1cccc2

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Molecular Weight: 431.52
Empirical Formula: C23H21N5O2S

Physical State: Dry powder
Available Amount: 82 mg

Lipinsky:
logP: 6.087
Rotatable bonds: 3
H-donors: 0
H-acceptors: 2
PSA: 108
Number of rings: 6

     

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