COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK210096
Chemical Name: ethyl2-(1,3-benzothiazol-2-ylamino)-4-({[(4-benzylpiperazin-1-yl)carbonothioyl]sulfanyl}methyl)pyrimidine-5-carboxylate
Smiles: CCOC(=O)c1cnc(nc1CSC(=S)N1CCN(CC1)Cc1ccccc1)Nc1nc2c(s1)cccc2

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Molecular Weight: 564.76
Empirical Formula: C27H28N6O2S3

Physical State: Dry powder
Available Amount: 116 mg

Lipinsky:
logP: 4.286
Rotatable bonds: 6
H-donors: 1
H-acceptors: 2
PSA: 169
Number of rings: 5

     

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