COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK682735
Chemical Name: 1-(2,4-dimethylphenyl)-3-[3-({[(2,4-dimethylphenyl)carbamothioyl]amino}methyl)-3,5,5-trimethylcyclohexyl]thiourea
Smiles: S=C(Nc1ccc(cc1C)C)NCC1(C)CC(NC(=S)Nc2ccc(cc2C)C)CC(C1)(C)C

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Molecular Weight: 496.78
Empirical Formula: C28H40N4S2

Physical State: Dry powder
Available Amount: 60 mg

Lipinsky:
logP: 6.626
Rotatable bonds: 3
H-donors: 4
H-acceptors: 0
PSA: 112
Number of rings: 3

     

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