COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL525266
Chemical Name: 4-oxo-4-[(8xi,9xi,14xi,16xi,17xi)-spirost-5-en-3-yloxy]butanoicacid
Smiles: CC1CC[C@@]2(OC1)OC1C([C@@H]2C)[C@@]2(C(C1)C1CC=C3[C@](C1CC2)(C)CCC(C3)OC(=O)CCC(=O)O)C

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Molecular Weight: 514.7
Empirical Formula: C31H46O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.305
Rotatable bonds: 6
H-donors: 1
H-acceptors: 6
PSA: 82
Number of rings: 6

     

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