COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL023296
Chemical Name: dimethyl2-[3-(3-chlorobenzyl)-4-(ethoxycarbonyl)-5-methyl-1H-pyrrol-2-yl]-4,6-dimethylcyclohexa-3,6-diene-1,3-dicarboxylate
Smiles: CCOC(=O)c1c(C)[nH]c(c1Cc1cccc(c1)Cl)C1C(=C(C)CC(=C1C(=O)OC)C)C(=O)OC

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Molecular Weight: 499.99
Empirical Formula: C27H30ClNO6

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 7.243
Rotatable bonds: 10
H-donors: 1
H-acceptors: 6
PSA: 94
Number of rings: 3

     

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