COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL019092
Chemical Name: (2S,12Z,14E,16S,17S,18R,19S,20S,21S,22R,23S,24E)-8-{4-[(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}-5,17,19-trihydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-1,6,9,11-tetraoxo-1,2,6,9-tetrahydro-
Smiles: CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C2=O)c2C(=O)C(=C(C(=O)c2c(c3C)O)NC(=O)/C(=C\C=C\[C@@H]([C@@H]([C@H]([C@@H]([C@@H]([C@@H]([C@@H]1C)OC(=O)C)C)O)C)O)C)/C)N1CCN(CC1)C(c1ccc(cc1)Cl)c1ccccc1

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Molecular Weight: 980.55
Empirical Formula: C54H62ClN3O12

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.233
Rotatable bonds: 2
H-donors: 4
H-acceptors: 12
PSA: 201
Number of rings: 8

     

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