COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK630504
Chemical Name: (4E)-2-(3-chlorophenyl)-4-[({[1-(dimethylamino)cyclohexyl]methyl}amino)methylidene]isoquinoline-1,3(2H,4H)-dione
Smiles: Clc1cccc(c1)N1C(=O)/C(=C/NCC2(CCCCC2)N(C)C)/c2c(C1=O)cccc2

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Molecular Weight: 437.97
Empirical Formula: C25H28ClN3O2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.933
Rotatable bonds: 2
H-donors: 1
H-acceptors: 2
PSA: 52
Number of rings: 4

     

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