COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL525692
Chemical Name: 4-oxo-4-{[(5alpha,8xi,9xi,14xi,16xi,17xi)-12-oxospirostan-3-yl]oxy}butanoicacid
Smiles: CC1CC[C@@]2(OC1)OC1C([C@@H]2C)[C@@]2(C(C1)C1CC[C@@H]3[C@](C1CC2=O)(C)CCC(C3)OC(=O)CCC(=O)O)C

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Molecular Weight: 530.7
Empirical Formula: C31H46O7

Physical State: Dry powder
Available Amount: 302 mg

Lipinsky:
logP: 4.728
Rotatable bonds: 6
H-donors: 1
H-acceptors: 7
PSA: 99
Number of rings: 6

     

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