COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK816045
Chemical Name: 1-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-4-[(4-butoxyphenyl)carbonyl]-3-hydroxy-5-[3-methoxy-4-(prop-2-en-1-yloxy)phenyl]-1,5-dihydro-2H-pyrrol-2-one
Smiles: C=CCOc1ccc(cc1OC)C1N(c2nnc(s2)SCc2ccccc2)C(=O)C(=C1C(=O)c1ccc(cc1)OCCCC)O

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Molecular Weight: 643.78
Empirical Formula: C34H33N3O6S2

Physical State: Dry powder
Available Amount: 103 mg

Lipinsky:
logP: 8.195
Rotatable bonds: 12
H-donors: 1
H-acceptors: 6
PSA: 164
Number of rings: 5

     

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