COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK364867
Chemical Name: (2E)-3-{2,5-dimethyl-1-[4-(tricyclo[3.3.1.1~3,7~]dec-1-yl)phenyl]-1H-pyrrol-3-yl}-2-[(4-phenylpiperazin-1-yl)carbonyl]prop-2-enenitrile
Smiles: N#C/C(=C\c1cc(n(c1C)c1ccc(cc1)C12CC3CC(C2)CC(C1)C3)C)/C(=O)N1CCN(CC1)c1ccccc1

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Molecular Weight: 544.74
Empirical Formula: C36H40N4O

Physical State: Dry powder
Available Amount: 209 mg

Lipinsky:
logP: 7.714
Rotatable bonds: 2
H-donors: 0
H-acceptors: 1
PSA: 52
Number of rings: 8

     

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