COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK635083
Chemical Name: N-[4-(propan-2-yl)phenyl]-4-[2-(pyridin-4-yl)ethyl]-1,4-diazepane-1-carbothioamide
Smiles: CC(c1ccc(cc1)NC(=S)N1CCCN(CC1)CCc1ccncc1)C

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Molecular Weight: 382.57
Empirical Formula: C22H30N4S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.115
Rotatable bonds: 2
H-donors: 1
H-acceptors: 0
PSA: 63
Number of rings: 3

     

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