COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL053923
Chemical Name: 1,4-bis(4-bromophenyl)-N-(prop-2-en-1-yl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide
Smiles: C=CCNC(=S)c1n2cc(n3c2c(c1c1ccc(cc1)Br)CCCC3)c1ccc(cc1)Br

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Molecular Weight: 569.36
Empirical Formula: C26H23Br2N3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 8.517
Rotatable bonds: 3
H-donors: 1
H-acceptors: 0
PSA: 53
Number of rings: 5

     

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