COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK116058
Chemical Name: methyl4-{[({6-[({2-[(4-methylpiperazin-1-yl)carbonyl]phenyl}carbonyl)amino]-1,3-benzothiazol-2-yl}sulfanyl)acetyl]amino}benzoate
Smiles: COC(=O)c1ccc(cc1)NC(=O)CSc1sc2c(n1)ccc(c2)NC(=O)c1ccccc1C(=O)N1CCN(CC1)C

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Molecular Weight: 603.72
Empirical Formula: C30H29N5O5S2

Physical State: Dry powder
Available Amount: 1 mg

Lipinsky:
logP: 2.797
Rotatable bonds: 6
H-donors: 2
H-acceptors: 5
PSA: 174
Number of rings: 5

     

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