COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK800115
Chemical Name: 2-({(2E)-3-[2-(4-tert-butylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-cyanoprop-2-enoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Smiles: N#C/C(=C\c1c(Oc2ccc(cc2)C(C)(C)C)nc2n(c1=O)cccc2)/C(=O)Nc1sc2c(c1C(=O)N)CCCC2

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Molecular Weight: 567.67
Empirical Formula: C31H29N5O4S

Physical State: Dry powder
Available Amount: 102 mg

Lipinsky:
logP: 6.719
Rotatable bonds: 4
H-donors: 3
H-acceptors: 4
PSA: 166
Number of rings: 5

     

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