COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK680721
Chemical Name: 4-(4-methylphenyl)-1-(phenoxymethyl)-N-(prop-2-en-1-yl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide
Smiles: C=CCNC(=S)c1c(c2ccc(cc2)C)c2c3n1nc(n3CCCC2)COc1ccccc1

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Molecular Weight: 456.61
Empirical Formula: C27H28N4OS

Available Amount: 0 mg

Lipinsky:
logP: 6.112
Rotatable bonds: 5
H-donors: 1
H-acceptors: 1
PSA: 75
Number of rings: 5

     

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