COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK420617
Chemical Name: (2E)-3-(4-tert-butylphenyl)-N-[3-({[(2E)-3-(4-tert-butylphenyl)prop-2-enoyl]amino}methyl)-3,5,5-trimethylcyclohexyl]prop-2-enamide
Smiles: O=C(NCC1(C)CC(NC(=O)/C=C/c2ccc(cc2)C(C)(C)C)CC(C1)(C)C)/C=C/c1ccc(cc1)C(C)(C)C

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Molecular Weight: 542.81
Empirical Formula: C36H50N2O2

Physical State: Dry powder
Available Amount: 379 mg

Lipinsky:
logP: 9.285
Rotatable bonds: 5
H-donors: 2
H-acceptors: 2
PSA: 58
Number of rings: 3

     

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