COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL038723
Chemical Name: 1-(3,4-dimethylphenyl)-3-{N-[(2E)-4,6,7-trimethylquinazolin-2(3H)-ylidene]carbamimidoyl}thiourea
Smiles: S=C(NC(=N)/N=c\1/nc2cc(C)c(cc2c([nH]1)C)C)Nc1ccc(c(c1)C)C

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Molecular Weight: 392.53
Empirical Formula: C21H24N6S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.131
Rotatable bonds: 0
H-donors: 4
H-acceptors: 0
PSA: 116
Number of rings: 3

     

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