COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL536785
Chemical Name: (5R,8S,13S,17S)-11-[4-(dimethylamino)phenyl]-13-methyl-17-(prop-1-yn-1-yl)-1,2,6,7,8,11,12,13,14,15,16,17-dodecahydrospiro[cyclopenta[a]phenanthrene-3,2'-[1,3]dioxolane]-5,17(4H)-diol
Smiles: CC#C[C@]1(O)CCC2[C@]1(C)CC(c1ccc(cc1)N(C)C)C1=C3CCC4(C[C@@]3(CC[C@@H]21)O)OCCO4

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Molecular Weight: 491.67
Empirical Formula: C31H41NO4

Physical State: Dry powder
Available Amount: 302 mg

Lipinsky:
logP: 5.069
Rotatable bonds: 1
H-donors: 2
H-acceptors: 4
PSA: 62
Number of rings: 6

     

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