COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK933808
Chemical Name: 3-(1,3-benzodioxol-5-yl)-N-[(2Z)-4,5-dimethyl-1,3-thiazol-2(3H)-ylidene]-2-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Smiles: O=C(C1c2ccccc2C(=O)N(C1c1ccc2c(c1)OCO2)C)/N=c\1/[nH]c(c(s1)C)C

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Saltdata: DMFA
Molecular Weight: 435.5
Empirical Formula: C23H21N3O4S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.486
Rotatable bonds: 2
H-donors: 1
H-acceptors: 4
PSA: 105
Number of rings: 5

     

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