COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK554456
Chemical Name: 4-[(4aR,4bS,7aR,8S)-8-[(4-chlorophenyl)carbamoyl]-5,7-dioxo-4b,5,7a,8-tetrahydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazin-6(7H)-yl]phenylacetate
Smiles: CC(=O)Oc1ccc(cc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1N([C@@H]2C(=O)Nc2ccc(cc2)Cl)N=CC=C1

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Molecular Weight: 478.89
Empirical Formula: C24H19ClN4O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.359
Rotatable bonds: 1
H-donors: 1
H-acceptors: 5
PSA: 108
Number of rings: 5

     

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