COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL147658
Chemical Name: 7-hydroxy-1-(pentan-2-yl)-4-[4-(prop-2-en-1-yloxy)phenyl]-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one
Smiles: CCCC(n1[nH]c(=O)c2c1N=C(O)CSC2c1ccc(cc1)OCC=C)C

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Molecular Weight: 387.5
Empirical Formula: C20H25N3O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.528
Rotatable bonds: 6
H-donors: 2
H-acceptors: 3
PSA: 99
Number of rings: 3

     

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