COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK449460
Chemical Name: (2E)-4-{[3-(ethoxycarbonyl)-5,6,7,8,9,10,11,12,13,14-decahydro-4H-cyclotrideca[b]thiophen-2-yl]amino}-4-oxobut-2-enoicacid
Smiles: CCOC(=O)c1c(NC(=O)/C=C/C(=O)O)sc2c1CCCCCCCCCCC2

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Molecular Weight: 421.56
Empirical Formula: C22H31NO5S

Physical State: Dry powder
Available Amount: 335 mg

Lipinsky:
logP: 8.89
Rotatable bonds: 6
H-donors: 2
H-acceptors: 5
PSA: 120
Number of rings: 2

     

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