COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK644717
Chemical Name: methyl4-[({4-[2-(pyridin-4-yl)ethyl]-1,4-diazepan-1-yl}carbonothioyl)amino]benzoate
Smiles: COC(=O)c1ccc(cc1)NC(=S)N1CCCN(CC1)CCc1ccncc1

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Molecular Weight: 398.53
Empirical Formula: C21H26N4O2S

Physical State: Dry powder
Available Amount: 305 mg

Lipinsky:
logP: 2.187
Rotatable bonds: 3
H-donors: 1
H-acceptors: 2
PSA: 89
Number of rings: 3

     

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