COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL537017
Chemical Name: (12bR)-12b-methyl-2-{[(E)-(4-phenoxyphenyl)methylidene]amino}-2,3,6,7,12,12b-hexahydropyrazino[1',2':1,2]pyrido[3,4-b]indole-1,4-dione
Smiles: O=C1CN(/N=C/c2ccc(cc2)Oc2ccccc2)C(=O)[C@@]2(N1CCc1c2[nH]c2c1cccc2)C

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Molecular Weight: 464.52
Empirical Formula: C28H24N4O3

Physical State: Dry powder
Available Amount: 301 mg

Lipinsky:
logP: 3.911
Rotatable bonds: 1
H-donors: 1
H-acceptors: 3
PSA: 78
Number of rings: 6

     

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