COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK741151
Chemical Name: (3R,3aS,7aR)-6-chloro-3-hydroxy-2-[2-(1H-indol-3-yl)ethyl]-2,3,3a,4,7,7a-hexahydro-1H-isoindol-1-one
Smiles: ClC1=CC[C@H]2[C@@H](C1)C(=O)N([C@@H]2O)CCc1c[nH]c2c1cccc2

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Molecular Weight: 330.81
Empirical Formula: C18H19ClN2O2

Physical State: Dry powder
Available Amount: 308 mg

Lipinsky:
logP: 2.278
Rotatable bonds: 3
H-donors: 2
H-acceptors: 2
PSA: 56
Number of rings: 4

     

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