COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL552445
Chemical Name: (1S,5aS,13aS,15aS)-8-[2-(3,4-dimethoxyphenyl)ethyl]-1,11-dihydroxy-1,13a,15a-trimethyl-1,2,3,3a,3b,4,5,5a,6,8,13,13a,13b,14,15,15a-hexadecahydro-9H-cyclopenta[5,6]naphtho[1,2-g]pyrimido[4,5-b]quinolin
Smiles: COc1cc(ccc1OC)CCn1c(=O)nc(c2c1nc1C[C@@H]3CCC4C([C@]3(Cc1c2)C)CC[C@]1(C4CC[C@]1(C)O)C)O

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Molecular Weight: 587.76
Empirical Formula: C35H45N3O5

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 5.999
Rotatable bonds: 6
H-donors: 2
H-acceptors: 5
PSA: 104
Number of rings: 7

     

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