COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL546312
Chemical Name: (3S,10R,13R)-10,13-dimethyl-17-octyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl(2E)-3-(3,4-dimethoxyphenyl)prop-2-enoate(non-preferredname)
Smiles: CCCCCCCCC1CCC2[C@]1(C)CCC1C2CC=C2[C@]1(C)CC[C@@H](C2)OC(=O)/C=C/c1ccc(c(c1)OC)OC

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Molecular Weight: 576.86
Empirical Formula: C38H56O4

Physical State: Dry powder
Available Amount: 179 mg

Lipinsky:
logP: 12.91
Rotatable bonds: 12
H-donors: 0
H-acceptors: 4
PSA: 44
Number of rings: 5

     

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