COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK172238
Chemical Name: (5Z)-1-(2,4-dichlorophenyl)-5-({1-[4-(2,4-dinitrophenoxy)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}methylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: Clc1ccc(c(c1)Cl)N1C(=O)NC(=O)/C(=C/c2cc(n(c2C)c2ccc(cc2)Oc2ccc(cc2[N+](=O)[O-])[N+](=O)[O-])C)/C1=O

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Molecular Weight: 636.4
Empirical Formula: C29H19Cl2N5O8

Physical State: Dry powder
Available Amount: 375 mg

Lipinsky:
logP: 6.69
Rotatable bonds: 2
H-donors: 1
H-acceptors: 8
PSA: 172
Number of rings: 5

     

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