COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL005971
Chemical Name: 1,4-bis(4-chlorophenyl)-N-(4-methylphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide
Smiles: Clc1ccc(cc1)c1c2CCCCn3c2n(c1C(=S)Nc1ccc(cc1)C)cc3c1ccc(cc1)Cl

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Molecular Weight: 530.52
Empirical Formula: C30H25Cl2N3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 8.886
Rotatable bonds: 1
H-donors: 1
H-acceptors: 0
PSA: 53
Number of rings: 6

     

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