COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK207197
Chemical Name: N-{(1Z)-1-[1-(1,3-benzothiazol-2-yl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]ethyl}histidine
Smiles: OC(=O)C(N/C(=C\1/C(=NN(C1=O)c1nc2c(s1)cccc2)C)/C)Cc1c[nH]cn1

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Saltdata: HCl
Molecular Weight: 410.46
Empirical Formula: C19H18N6O3S

Physical State: Dry powder
Available Amount: 73 mg

Lipinsky:
logP: 2.047
Rotatable bonds: 5
H-donors: 3
H-acceptors: 3
PSA: 151
Number of rings: 4

     

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