COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL551803
Chemical Name: (1S,5aS,13aS,15aS)-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]quinoline-9-thione
Smiles: S=c1nc(O)c2c([nH]1)nc1c(c2)C[C@]2([C@H](C1)CCC1C2CC[C@]2(C1CC[C@]2(C)O)C)C

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Molecular Weight: 439.62
Empirical Formula: C25H33N3O2S

Physical State: Dry powder
Available Amount: 322 mg

Lipinsky:
logP: 5.052
Rotatable bonds: 1
H-donors: 3
H-acceptors: 2
PSA: 109
Number of rings: 6

     

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