COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL528390
Chemical Name: 1-[3-(1H-benzotriazol-1-ylmethyl)-4-methoxyphenyl]-2,3,4,9-tetrahydro-1H-beta-carbolin-2-ium-3-carboxylate
Smiles: COc1ccc(cc1Cn1nnc2c1cccc2)C1[NH2+]C(Cc2c1[nH]c1c2cccc1)C(=O)[O-]

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Molecular Weight: 453.5
Empirical Formula: C26H23N5O3

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.778
Rotatable bonds: 4
H-donors: 3
H-acceptors: 3
PSA: 112
Number of rings: 6

     

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