COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK371009
Chemical Name: 2-{[3-(ethoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}-3-nitrobenzoicacid
Smiles: CCOC(=O)c1c(sc2c1CCCC2)NC(=O)c1c(cccc1C(=O)O)[N+](=O)[O-]

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Molecular Weight: 418.43
Empirical Formula: C19H18N2O7S

Physical State: Dry powder
Available Amount: 253 mg

Lipinsky:
logP: 5.169
Rotatable bonds: 6
H-donors: 2
H-acceptors: 7
PSA: 166
Number of rings: 3

     

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