COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL550101
Chemical Name: (6R,6aS,7S,14S)-3-({(1Z)-1-[(9bR)-6-acetyl-7,9-dihydroxy-8,9b-dimethyl-1,3-dioxo-3,9b-dihydrodibenzo[b,d]furan-2(1H)-ylidene]ethyl}amino)-10-oxo-6,6a,7,8,14,15-hexahydro-5H,10H-7,14-methanopyrido[1',2
Smiles: OC(=O)[C@@H]1Cc2cc(ccc2N2[C@H]1[C@H]1C[C@@H](C2)c2n(C1)c(=O)ccc2)N/C(=C\1/C(=O)C=C2[C@@](C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O)/C

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Molecular Weight: 677.71
Empirical Formula: C38H35N3O9

Physical State: Dry powder
Available Amount: 310 mg

Lipinsky:
logP: 3.66
Rotatable bonds: 4
H-donors: 4
H-acceptors: 9
PSA: 173
Number of rings: 8

     

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