COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL530020
Chemical Name: (5aR,6aR,9aS,10aR,12aR)-1-[(4R)-5-(3-hydroxy-3-methylbutyl)-2,2,4-trimethyl-1,3-dioxolan-4-yl]-8,8,10a,12a-tetramethyl-1,2,5a,6,6a,9a,10,10a,10b,11,12,12a-dodecahydro-5H-cyclopenta[7,8]phenanthro[2,3-
Smiles: O=C1C=C2C([C@@]3([C@H]1C[C@H]1OC(O[C@H]1C3)(C)C)C)CC[C@]1(C2=CCC1[C@@]1(C)OC(OC1CCC(O)(C)C)(C)C)C

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Molecular Weight: 542.76
Empirical Formula: C33H50O6

Physical State: Dry powder
Available Amount: 309 mg

Lipinsky:
logP: 4.93
Rotatable bonds: 5
H-donors: 1
H-acceptors: 6
PSA: 74
Number of rings: 6

     

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