COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK104320
Chemical Name: ethyl(2E)-4-(1,3-benzothiazol-2-ylsulfanyl)-3-[4-(diphenylmethyl)piperazin-1-yl]but-2-enoate
Smiles: CCOC(=O)/C=C(/N1CCN(CC1)C(c1ccccc1)c1ccccc1)\CSc1nc2c(s1)cccc2

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Molecular Weight: 529.73
Empirical Formula: C30H31N3O2S2

Physical State: Dry powder
Available Amount: 461 mg

Lipinsky:
logP: 7.703
Rotatable bonds: 6
H-donors: 0
H-acceptors: 2
PSA: 99
Number of rings: 5

     

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