COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK694344
Chemical Name: (5alpha,8xi,9xi,14xi,16E)-3-hydroxy-16-[(7-methoxy-1,3-benzodioxol-5-yl)methylidene]androstan-17-one
Smiles: COc1cc(/C=C/2\CC3[C@](C2=O)(C)CCC2C3CC[C@@H]3[C@]2(C)CCC(C3)O)cc2c1OCO2

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Molecular Weight: 452.59
Empirical Formula: C28H36O5

Physical State: Dry powder
Available Amount: 57 mg

Lipinsky:
logP: 6.459
Rotatable bonds: 3
H-donors: 1
H-acceptors: 5
PSA: 64
Number of rings: 6

     

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