COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL564977
Chemical Name: (2beta,3beta,5beta,17beta)-2,3,14-trihydroxy-17-[(4R,5R)-5-(3-hydroxy-3-methylbutyl)-2,2,4-trimethyl-1,3-dioxolan-4-yl]androst-7-en-6-one
Smiles: O[C@H]1C[C@@]2(C)[C@@H](C[C@H]1O)C(=O)C=C1[C@@H]2CC[C@]2([C@@]1(O)CC[C@@H]2[C@@]1(C)OC(O[C@@H]1CCC(O)(C)C)(C)C)C

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Molecular Weight: 520.71
Empirical Formula: C30H48O7

Physical State: Dry powder
Available Amount: 1 mg

Lipinsky:
logP: 1.936
Rotatable bonds: 5
H-donors: 4
H-acceptors: 7
PSA: 116
Number of rings: 5

     

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