COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK679041
Chemical Name: 4-(4-chlorophenyl)-1-{[(4-chlorophenyl)amino]methyl}-N-(4-ethylphenyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide
Smiles: CCc1ccc(cc1)NC(=S)c1c(c2ccc(cc2)Cl)c2c3n1nc(n3CCCC2)CNc1ccc(cc1)Cl

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Molecular Weight: 574.58
Empirical Formula: C31H29Cl2N5S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 8.033
Rotatable bonds: 3
H-donors: 2
H-acceptors: 0
PSA: 78
Number of rings: 6

     

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