COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL167514
Chemical Name: tert-butyl4-{4-amino-5-[(5-chloro-2-methoxyphenyl)sulfonyl]pyrimidin-2-yl}-1,4-diazepane-1-carboxylate
Smiles: COc1ccc(cc1S(=O)(=O)c1cnc(nc1N)N1CCCN(CC1)C(=O)OC(C)(C)C)Cl

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Molecular Weight: 498
Empirical Formula: C21H28ClN5O5S

Physical State: Dry powder
Available Amount: 36 mg

Lipinsky:
logP: 4.648
Rotatable bonds: 4
H-donors: 2
H-acceptors: 5
PSA: 136
Number of rings: 3

     

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