COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK551904
Chemical Name: (3a'R,8a'S,8b'S)-2'-(2-methyl-5-nitrophenyl)-3a',6',7',8',8a',8b'-hexahydro-1'H-spiro[indene-2,4'-pyrrolo[3,4-a]pyrrolizine]-1,1',3,3'(2'H)-tetrone
Smiles: O=C1N(C(=O)[C@H]2[C@@H]1[C@]1(N3[C@H]2CCC3)C(=O)c2c(C1=O)cccc2)c1cc(ccc1C)[N+](=O)[O-]

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Molecular Weight: 445.43
Empirical Formula: C24H19N3O6

Physical State: Dry powder
Available Amount: 311 mg

Lipinsky:
logP: 3.738
Rotatable bonds: 0
H-donors: 0
H-acceptors: 6
PSA: 120
Number of rings: 6

     

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