COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK620709
Chemical Name: (4E)-4-({[2-(1H-indol-3-yl)ethyl]amino}methylidene)-2-(3-methoxyphenyl)isoquinoline-1,3(2H,4H)-dione
Smiles: COc1cccc(c1)N1C(=O)/C(=C/NCCc2c[nH]c3c2cccc3)/c2c(C1=O)cccc2

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Molecular Weight: 437.5
Empirical Formula: C27H23N3O3

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.519
Rotatable bonds: 4
H-donors: 2
H-acceptors: 3
PSA: 74
Number of rings: 5

     

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