COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK610295
Chemical Name: (2E)-4-{[2-(azepan-1-ylsulfonyl)ethyl](pyridin-3-ylmethyl)amino}-4-oxobut-2-enoicacid
Smiles: OC(=O)/C=C/C(=O)N(Cc1cccnc1)CCS(=O)(=O)N1CCCCCC1

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Molecular Weight: 395.48
Empirical Formula: C18H25N3O5S

Physical State: Dry powder
Available Amount: 322 mg

Lipinsky:
logP: 0.986
Rotatable bonds: 8
H-donors: 1
H-acceptors: 5
PSA: 116
Number of rings: 2

     

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