COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL059049
Chemical Name: 5-{(E)-[(8-chloro-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)imino]methyl}furan-2-sulfonate
Smiles: Clc1ccc2c(c1)c1ncn(c(=O)c1[nH]2)/N=C/c1ccc(o1)S(=O)(=O)[O-]

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Saltdata: Na+
Molecular Weight: 391.77
Empirical Formula: C15H8ClN4O5S

Physical State: Dry powder
Available Amount: 302 mg

Lipinsky:
logP: 0.457
Rotatable bonds: 2
H-donors: 1
H-acceptors: 5
PSA: 139
Number of rings: 4

     

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