COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL334912
Chemical Name: 4-{(1E)-3-[(5-benzyl-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-2-cyano-3-oxoprop-1-en-1-yl}phenyl4-methylbenzoate
Smiles: N#C/C(=C\c1ccc(cc1)OC(=O)c1ccc(cc1)C)/C(=O)Nc1nc2c(s1)CN(CC2)Cc1ccccc1

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Molecular Weight: 534.64
Empirical Formula: C31H26N4O3S

Physical State: Dry powder
Available Amount: 216 mg

Lipinsky:
logP: 6.763
Rotatable bonds: 3
H-donors: 1
H-acceptors: 3
PSA: 123
Number of rings: 5

     

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