COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL295802
Chemical Name: (4E)-4-{[(4-acetylphenyl)amino]methylidene}-5-methyl-2-{4-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-yl]phenyl}-2,4-dihydro-3H-pyrazol-3-one
Smiles: CC1=NN(C(=O)/C/1=C/Nc1ccc(cc1)C(=O)C)c1ccc(cc1)C12C[C@@H]3C[C@H](C2)C[C@H](C1)C3

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Molecular Weight: 453.58
Empirical Formula: C29H31N3O2

Physical State: Dry powder
Available Amount: 512 mg

Lipinsky:
logP: 5.436
Rotatable bonds: 0
H-donors: 1
H-acceptors: 2
PSA: 61
Number of rings: 7

     

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