COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK681033
Chemical Name: 3-{[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]amino}-2-pentanoyl-5-phenylcyclohex-2-en-1-one
Smiles: CCCCC(=O)C1=C(NCCc2c(C)[nH]c3c2cc(C)cc3)CC(CC1=O)c1ccccc1

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Molecular Weight: 442.6
Empirical Formula: C29H34N2O2

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 6.148
Rotatable bonds: 7
H-donors: 2
H-acceptors: 2
PSA: 61
Number of rings: 4

     

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