COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL051916
Chemical Name: 4-(4-bromophenyl)-N-(4-chlorophenyl)-1-(4-fluorophenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide
Smiles: Fc1ccc(cc1)c1c2CCCCn3c2n(c1C(=S)Nc1ccc(cc1)Cl)cc3c1ccc(cc1)Br

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Molecular Weight: 578.93
Empirical Formula: C29H22BrClFN3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 9.113
Rotatable bonds: 1
H-donors: 1
H-acceptors: 0
PSA: 53
Number of rings: 6

     

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