COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK456827
Chemical Name: methyl5-(diethylcarbamoyl)-4-methyl-2-({[2-(9H-xanthen-9-ylcarbonyl)hydrazinyl]carbonothioyl}amino)thiophene-3-carboxylate
Smiles: CCN(C(=O)c1sc(c(c1C)C(=O)OC)NC(=S)NNC(=O)C1c2ccccc2Oc2c1cccc2)CC

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Molecular Weight: 552.68
Empirical Formula: C27H28N4O5S2

Physical State: Dry powder
Available Amount: 328 mg

Lipinsky:
logP: 6.33
Rotatable bonds: 7
H-donors: 3
H-acceptors: 5
PSA: 169
Number of rings: 4

     

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