COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL150631
Chemical Name: 1-(3-chlorophenyl)-3-[(2E)-5-(4-nitrobenzyl)-1,3,4-thiadiazol-2(3H)-ylidene]urea
Smiles: Clc1cccc(c1)NC(=O)/N=c/1\[nH]nc(s1)Cc1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 389.82
Empirical Formula: C16H12ClN5O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.453
Rotatable bonds: 1
H-donors: 2
H-acceptors: 3
PSA: 136
Number of rings: 3

     

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