COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL528202
Chemical Name: (10R,13S,17S)-17-({[(E)-(5-bromo-2-hydroxyphenyl)methylidene]amino}methyl)-10,13-dimethyl-1,2,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydrospiro[cyclopenta[a]phenanthrene-3,2'-[1,3]dioxolan]-17-ol
Smiles: Brc1ccc(c(c1)/C=N/C[C@]1(O)CCC2[C@]1(C)CCC1C2CC=C2[C@]1(C)CCC1(C2)OCCO1)O

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Molecular Weight: 544.53
Empirical Formula: C29H38BrNO4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.646
Rotatable bonds: 3
H-donors: 2
H-acceptors: 4
PSA: 71
Number of rings: 6

     

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