COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL318529
Chemical Name: N-[(2E)-3,4,5,6,7,8-hexahydro-2H-cyclohepta[d][1,3]thiazol-2-ylidene]-3-(2-hydroxy-5-oxo-4,5-dihydro-3H-1,4-benzodiazepin-3-yl)propanamide
Smiles: O=C(/N=c\1/sc2c([nH]1)CCCCC2)CCC1NC(=O)c2c(N=C1O)cccc2

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Molecular Weight: 398.49
Empirical Formula: C20H22N4O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.949
Rotatable bonds: 4
H-donors: 3
H-acceptors: 3
PSA: 128
Number of rings: 4

     

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