COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK538969
Chemical Name: 2-({[(2E)-3-(4-methylphenyl)prop-2-enoyl]carbamothioyl}amino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide
Smiles: O=C(NC(=S)Nc1sc2c(c1C(=O)N)CCCCCC2)/C=C/c1ccc(cc1)C

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Molecular Weight: 427.59
Empirical Formula: C22H25N3O2S2

Physical State: Dry powder
Available Amount: 309 mg

Lipinsky:
logP: 7.139
Rotatable bonds: 2
H-donors: 4
H-acceptors: 2
PSA: 144
Number of rings: 3

     

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