COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK679998
Chemical Name: 4-(4-chlorophenyl)-N-(4-ethoxyphenyl)-1-(4-methoxyphenyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide
Smiles: CCOc1ccc(cc1)NC(=S)c1c(c2ccc(cc2)Cl)c2c3n1nc(n3CCCC2)c1ccc(cc1)OC

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Molecular Weight: 557.12
Empirical Formula: C31H29ClN4O2S

Physical State: Dry powder
Available Amount: 61 mg

Lipinsky:
logP: 8.018
Rotatable bonds: 2
H-donors: 1
H-acceptors: 2
PSA: 84
Number of rings: 6

     

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