COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK599040
Chemical Name: 2-[3-chloro-5-methoxy-4-(propan-2-yloxy)phenyl]-4-imino-6,7,11,12-tetrahydro-4H,10H-[1,4]dioxepino[2,3-g]pyrido[2,1-a]isoquinoline-3-carbonitrile
Smiles: COc1cc(cc(c1OC(C)C)Cl)c1cc2c3cc4OCCCOc4cc3CCn2c(=N)c1C#N

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Molecular Weight: 491.97
Empirical Formula: C27H26ClN3O4

Physical State: Dry powder
Available Amount: 310 mg

Lipinsky:
logP: 5.22
Rotatable bonds: 4
H-donors: 1
H-acceptors: 4
PSA: 87
Number of rings: 5

     

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