COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK998324
Chemical Name: 4-(4-chlorophenyl)-1-phenyl-N-(prop-2-en-1-yl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide
Smiles: C=CCNC(=S)c1c(c2ccccc2)c2c3n1cc(n3CCCC2)c1ccc(cc1)Cl

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Molecular Weight: 446.02
Empirical Formula: C26H24ClN3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 7.279
Rotatable bonds: 3
H-donors: 1
H-acceptors: 0
PSA: 53
Number of rings: 5

     

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