COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL154252
Chemical Name: 9-chloro-3-({(E)-[4-(pentyloxy)phenyl]methylidene}amino)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Smiles: CCCCCOc1ccc(cc1)/C=N/n1cnc2c(c1=O)[nH]c1c2c(Cl)ccc1

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Molecular Weight: 408.89
Empirical Formula: C22H21ClN4O2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.444
Rotatable bonds: 5
H-donors: 1
H-acceptors: 2
PSA: 70
Number of rings: 4

     

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