COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL224724
Chemical Name: (6Z)-6-{[1-(5-chloro-2,4-dimethoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-ethyl-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: COc1cc(OC)c(cc1n1c(C)cc(c1C)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)CC)Cl

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Molecular Weight: 471.97
Empirical Formula: C22H22ClN5O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.444
Rotatable bonds: 4
H-donors: 1
H-acceptors: 3
PSA: 117
Number of rings: 4

     

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