COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK836641
Chemical Name: (3aR,4R,7S,7aS)-2-(2-{4-[(3-chloro-1-benzothiophen-2-yl)carbonyl]piperazin-1-yl}ethyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Smiles: O=C1N(CCN2CCN(CC2)C(=O)c2sc3c(c2Cl)cccc3)C(=O)[C@@H]2[C@H]1[C@@H]1C=C[C@H]2C1

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Molecular Weight: 469.99
Empirical Formula: C24H24ClN3O3S

Physical State: Dry powder
Available Amount: 310 mg

Lipinsky:
logP: 3.944
Rotatable bonds: 2
H-donors: 0
H-acceptors: 3
PSA: 89
Number of rings: 6

     

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