COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL527015
Chemical Name: (9R,10S,13S,17R)-9,17-dihydroxy-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]dioxolane]-17-carbonitrile
Smiles: N#C[C@@]1(O)CCC2[C@]1(C)CC[C@]1(C2CC=C2[C@]1(C)CCC1(C2)OCCO1)O

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Molecular Weight: 373.49
Empirical Formula: C22H31NO4

Physical State: Dry powder
Available Amount: 50 mg

Lipinsky:
logP: 1.13
Rotatable bonds: 0
H-donors: 2
H-acceptors: 4
PSA: 82
Number of rings: 5

     

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