COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK838059
Chemical Name: ethyl(2E)-3-[5-(4-bromophenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]but-2-enoate
Smiles: CCOC(=O)/C=C(/N1N=C(CC1c1ccc(cc1)Br)c1cccs1)\C

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Molecular Weight: 419.34
Empirical Formula: C19H19BrN2O2S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.707
Rotatable bonds: 4
H-donors: 0
H-acceptors: 2
PSA: 70
Number of rings: 3

     

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