COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL551123
Chemical Name: (2E)-6-acetyl-7,9-dihydroxy-2-{1-[(11-hydroxy-5-oxo-2,3,5,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-7-yl)amino]ethylidene}-8,9b-dimethyldibenzo[b,d]furan-1,3(2H,9bH)-dione
Smiles: O=C1C=C2Oc3c(C2(C(=O)/C/1=C(/Nc1ccc2c(c1)C(=O)N1CCCC1C(=N2)O)\C)C)c(O)c(c(c3C(=O)C)O)C

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Molecular Weight: 557.56
Empirical Formula: C30H27N3O8

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.175
Rotatable bonds: 4
H-donors: 4
H-acceptors: 8
PSA: 165
Number of rings: 6

     

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