COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK687492
Chemical Name: N-benzyl-1-{[(4-chlorophenyl)amino]methyl}-4-(4-fluorophenyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide
Smiles: Fc1ccc(cc1)c1c(C(=S)NCc2ccccc2)n2c3c1CCCCn3c(n2)CNc1ccc(cc1)Cl

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Molecular Weight: 544.1
Empirical Formula: C30H27ClFN5S

Physical State: Dry powder
Available Amount: 1 mg

Lipinsky:
logP: 6.777
Rotatable bonds: 4
H-donors: 2
H-acceptors: 0
PSA: 78
Number of rings: 6

     

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