COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL474729
Chemical Name: N-{3-[2-(methylsulfanyl)ethyl]-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-7-yl}-3-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanamide
Smiles: CSCCC1NC(=O)c2c(NC1=O)ccc(c2)NC(=O)CCn1nnc2c(c1=O)cccc2

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Molecular Weight: 466.52
Empirical Formula: C22H22N6O4S

Available Amount: 0 mg

Lipinsky:
logP: -0.309
Rotatable bonds: 6
H-donors: 3
H-acceptors: 4
PSA: 157
Number of rings: 4

     

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