COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK320049
Chemical Name: (4Z)-2-(1,3-benzothiazol-2-yl)-4-{1-[(2-{[(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl}ethyl)amino]ethylidene}-5-propyl-2,4-dihydro-3H-pyrazol-3-one
Smiles: CCCC1=NN(C(=O)/C/1=C(\NCCSCc1nc[nH]c1C)/C)c1nc2c(s1)cccc2

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Molecular Weight: 454.62
Empirical Formula: C22H26N6OS2

Physical State: Dry powder
Available Amount: 360 mg

Lipinsky:
logP: 4.017
Rotatable bonds: 7
H-donors: 2
H-acceptors: 1
PSA: 139
Number of rings: 4

     

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