COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL315000
Chemical Name: ethyl4-{[(2Z)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,3-thiazol-2(3H)-ylidene]carbamoyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate
Smiles: CCOC(=O)c1[nH]c(c(c1C)C(=O)/N=c/1\scc([nH]1)c1ccc2c(c1)OCCCO2)C

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Molecular Weight: 441.51
Empirical Formula: C22H23N3O5S

Physical State: Dry powder
Available Amount: 314 mg

Lipinsky:
logP: 5.303
Rotatable bonds: 5
H-donors: 2
H-acceptors: 5
PSA: 127
Number of rings: 4

     

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