COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL050416
Chemical Name: 1-(4-bromophenyl)-N-(4-chlorophenyl)-4-(4-methylphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide
Smiles: Brc1ccc(cc1)c1c2CCCCn3c2n(c1C(=S)Nc1ccc(cc1)Cl)cc3c1ccc(cc1)C

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Molecular Weight: 574.97
Empirical Formula: C30H25BrClN3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 9.64
Rotatable bonds: 1
H-donors: 1
H-acceptors: 0
PSA: 53
Number of rings: 6

     

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