COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK613127
Chemical Name: 1-(4-methylphenyl)-3-[(2Z)-5-(3-nitrophenyl)-1,3,4-thiadiazol-2(3H)-ylidene]urea
Smiles: Cc1ccc(cc1)NC(=O)/N=c\1/[nH]nc(s1)c1cccc(c1)[N+](=O)[O-]

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Molecular Weight: 355.38
Empirical Formula: C16H13N5O3S

Physical State: Dry powder
Available Amount: 315 mg

Lipinsky:
logP: 2.859
Rotatable bonds: 1
H-donors: 2
H-acceptors: 3
PSA: 136
Number of rings: 3

     

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