COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL439013
Chemical Name: 2-(1H-benzotriazol-1-yl)-N-{1-(cyclohex-3-en-1-yl)-2-[(2,4-dimethoxyphenyl)amino]-2-oxoethyl}-N-(pyridin-3-ylmethyl)acetamide
Smiles: COc1ccc(c(c1)OC)NC(=O)C(N(C(=O)Cn1nnc2c1cccc2)Cc1cccnc1)C1CCC=CC1

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Molecular Weight: 540.62
Empirical Formula: C30H32N6O4

Physical State: Dry powder
Available Amount: 17 mg

Lipinsky:
logP: 4.376
Rotatable bonds: 9
H-donors: 1
H-acceptors: 4
PSA: 111
Number of rings: 5

     

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