COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK533210
Chemical Name: (4R,7S)-2-{2-[4-(4-nitrobenzyl)piperazin-1-yl]ethyl}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Smiles: O=C1N(CCN2CCN(CC2)Cc2ccc(cc2)[N+](=O)[O-])C(=O)C2C1[C@@H]1C=C[C@H]2C1

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Molecular Weight: 410.47
Empirical Formula: C22H26N4O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.055
Rotatable bonds: 1
H-donors: 0
H-acceptors: 4
PSA: 89
Number of rings: 5

     

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