COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL547777
Chemical Name: (2E,9bR)-6-acetyl-7,9-dihydroxy-2-{1-[(2-{[(4-hydroxy-6,7-dimethoxyquinazolin-2-yl)methyl]sulfanyl}ethyl)amino]ethylidene}-8,9b-dimethyldibenzo[b,d]furan-1,3(2H,9bH)-dione
Smiles: COc1cc2c(O)nc(nc2cc1OC)CSCCN/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: 621.67
Empirical Formula: C31H31N3O9S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.463
Rotatable bonds: 11
H-donors: 4
H-acceptors: 9
PSA: 202
Number of rings: 5

     

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