COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK622214
Chemical Name: methyl3-[(E)-{[3-(1,3-benzothiazol-2-yl)-4-hydroxy-2-imino-2,5-dihydro-1H-pyrrol-1-yl]imino}methyl]-1H-indole-2-carboxylate
Smiles: COC(=O)c1[nH]c2c(c1/C=N/N1CC(=C(C1=N)c1nc3c(s1)cccc3)O)cccc2

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Molecular Weight: 431.47
Empirical Formula: C22H17N5O3S

Physical State: Dry powder
Available Amount: 312 mg

Lipinsky:
logP: 3.678
Rotatable bonds: 6
H-donors: 3
H-acceptors: 3
PSA: 142
Number of rings: 5

     

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