COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL372907
Chemical Name: (2aE,4E,8E)-6'-(butan-2-yl)-20,20b-dihydroxy-5',6,8,19-tetramethyl-17-oxo-5',6,6',10,11,14,15,17,17a,20,20a,20b-dodecahydro-2H,7H-spiro[11,15-methanofuro[4,3,2-pq][2,6]benzodioxacyclooctadecine-13,2'-
Smiles: CCC(C1OC2(C=CC1C)OC1C/C=C(\C)/C(OC3CC(OC)C(C(O3)C)OC3CC(OC)C(C(O3)C)NC(=O)C)C(C)/C=C/C=C\3/C4(C(C(=O)OC(C2)C1)C=C(C)C(C4OC3)O)O)C

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Molecular Weight: 914.14
Empirical Formula: C50H75NO14

Physical State: Dry powder
Available Amount: 1000 mg

Lipinsky:
logP: 6.219
Rotatable bonds: 11
H-donors: 3
H-acceptors: 14
PSA: 178
Number of rings: 7

     

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