COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK681502
Chemical Name: 4-(4-bromophenyl)-1-{[(4-bromophenyl)amino]methyl}-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)Br)c2c3n1nc(n3CCCC2)CNc1ccc(cc1)Br

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Molecular Weight: 599.39
Empirical Formula: C26H25Br2N5S

Physical State: Dry powder
Available Amount: 7 mg

Lipinsky:
logP: 7.185
Rotatable bonds: 5
H-donors: 2
H-acceptors: 0
PSA: 78
Number of rings: 5

     

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