COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK541678
Chemical Name: 4-[(6aS,6bR,9aS,10R)-10-(1H-benzotriazol-1-ylcarbonyl)-7,9-dioxo-6b,7,9a,10-tetrahydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinolin-8(9H)-yl]phenylacetate
Smiles: CC(=O)Oc1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)[C@H]1N([C@H]2C(=O)n2nnc3c2cccc3)c2ccccc2C=C1

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Molecular Weight: 519.52
Empirical Formula: C29H21N5O5

Physical State: Dry powder
Available Amount: 310 mg

Lipinsky:
logP: 2.259
Rotatable bonds: 1
H-donors: 0
H-acceptors: 5
PSA: 114
Number of rings: 7

     

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