COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK679570
Chemical Name: 4-(4-chlorophenyl)-1-{[(4-fluorophenyl)amino]methyl}-N-phenyl-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide
Smiles: Fc1ccc(cc1)NCc1nn2c3n1CCCCc3c(c2C(=S)Nc1ccccc1)c1ccc(cc1)Cl

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Molecular Weight: 530.07
Empirical Formula: C29H25ClFN5S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 6.707
Rotatable bonds: 3
H-donors: 2
H-acceptors: 0
PSA: 78
Number of rings: 6

     

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