COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL547282
Chemical Name: (2E,9bR)-6-acetyl-7,9-dihydroxy-8,9b-dimethyl-2-[1-({(2S)-1-oxo-1-[(1S,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]-3-phenylpropan-2-yl}amino)ethylidene]dibenzo[b,d]
Smiles: O=C(N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)[C@@H](N/C(=C/1\C(=O)C=C2[C@@](C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O)/C)Cc1ccccc1

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Molecular Weight: 663.73
Empirical Formula: C38H37N3O8

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.229
Rotatable bonds: 5
H-donors: 3
H-acceptors: 8
PSA: 153
Number of rings: 7

     

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