COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK780432
Chemical Name: 4-[4-(dimethylamino)phenyl]-3-hydroxy-1-(pentan-3-yl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Smiles: CCC(n1nc(c2c1NC(=O)CSC2c1ccc(cc1)N(C)C)O)CC

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Molecular Weight: 374.51
Empirical Formula: C19H26N4O2S

Physical State: Dry powder
Available Amount: 68 mg

Lipinsky:
logP: 4.444
Rotatable bonds: 4
H-donors: 2
H-acceptors: 2
PSA: 95
Number of rings: 3

     

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