COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK099713
Chemical Name: 2-(4-methyl-5-{(3E,5E)-6-[4-(1H-pyrrol-2-ylcarbonyl)-2,3,3a,4,5,7a-hexahydro-1H-inden-5-yl]hexa-3,5-dien-3-yl}tetrahydro-2H-pyran-2-yl)propanoate
Smiles: CC/C(=C\C=C\C1C=CC2C(C1C(=O)c1ccc[nH]1)CCC2)/C1COC(CC1C)C(C(=O)[O-])C

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Saltdata: Na+
Molecular Weight: 464.63
Empirical Formula: C29H38NO4

Physical State: Dry powder
Available Amount: 427 mg

Lipinsky:
logP: 6.335
Rotatable bonds: 7
H-donors: 1
H-acceptors: 4
PSA: 82
Number of rings: 4

     

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