COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK712848
Chemical Name: (6Z)-2-(4-chlorobenzyl)-5-imino-6-{[5-(4-nitrophenyl)furan-2-yl]methylidene}-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: Clc1ccc(cc1)Cc1nn2c(=NC(=O)/C(=C\c3ccc(o3)c3ccc(cc3)[N+](=O)[O-])/C2=N)s1

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Molecular Weight: 491.91
Empirical Formula: C23H14ClN5O4S

Physical State: Dry powder
Available Amount: 304 mg

Lipinsky:
logP: 4.242
Rotatable bonds: 2
H-donors: 1
H-acceptors: 4
PSA: 153
Number of rings: 5

     

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