COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL525670
Chemical Name: (2R,3S,4R,5R,2'R,3'S,4'R,5'R)-N,N'-[({4-[(3R,10S,12S,13R,17R)-3,12-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl}imino)dipropane-3,1-diyl]bis(2,3,4,5,6-pentahydroxy
Smiles: OC[C@H]([C@H]([C@@H]([C@H](C(=O)NCCCN(C(=O)CC[C@H]([C@H]1CCC2[C@]1(C)[C@@H](O)CC1C2CCC2[C@]1(C)CC[C@H](C2)O)C)CCCNC(=O)[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)O)O)O)O

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Molecular Weight: 862.07
Empirical Formula: C42H75N3O15

Physical State: Dry powder
Available Amount: 308 mg

Lipinsky:
logP: -3.111
Rotatable bonds: 23
H-donors: 14
H-acceptors: 15
PSA: 321
Number of rings: 4

     

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