COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL310744
Chemical Name: ethyl[4-(4-cyanophenyl)-7-hydroxy-3-methyl-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-1-yl]acetate
Smiles: CCOC(=O)Cn1nc(c2c1N=C(O)CSC2c1ccc(cc1)C#N)C

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Molecular Weight: 370.43
Empirical Formula: C18H18N4O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.711
Rotatable bonds: 5
H-donors: 1
H-acceptors: 3
PSA: 125
Number of rings: 3

     

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