COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK690518
Chemical Name: di-tert-butyl2-(4-chlorophenyl)-6-hydroxy-6-methyl-4-[(2-phenylethyl)amino]cyclohex-3-ene-1,3-dicarboxylate
Smiles: O=C(C1C(c2ccc(cc2)Cl)C(=C(CC1(C)O)NCCc1ccccc1)C(=O)OC(C)(C)C)OC(C)(C)C

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Molecular Weight: 542.12
Empirical Formula: C31H40ClNO5

Physical State: Dry powder
Available Amount: 5 mg

Lipinsky:
logP: 7.99
Rotatable bonds: 7
H-donors: 2
H-acceptors: 5
PSA: 84
Number of rings: 3

     

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