COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL010718
Chemical Name: (1S,5S)-3-[(3-{[4-(3-chlorophenyl)piperazin-1-yl]carbonyl}-1H-indol-1-yl)methyl]-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Smiles: Clc1cccc(c1)N1CCN(CC1)C(=O)c1cn(c2c1cccc2)CN1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1

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Molecular Weight: 542.08
Empirical Formula: C31H32ClN5O2

Physical State: Dry powder
Available Amount: 301 mg

Lipinsky:
logP: 3.111
Rotatable bonds: 3
H-donors: 0
H-acceptors: 2
PSA: 52
Number of rings: 7

     

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