COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK945134
Chemical Name: 2-[3-(methylsulfanyl)-1-(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: CSCCC(N1C(=O)c2c(C1=O)cccc2)c1nc2n(n1)cnc1c2c2CCCCCc2s1

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Molecular Weight: 477.61
Empirical Formula: C24H23N5O2S2

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 7.101
Rotatable bonds: 4
H-donors: 0
H-acceptors: 2
PSA: 134
Number of rings: 6

     

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