COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK927744
Chemical Name: 1-{4-[2-hydroxy-3-({[(2E)-1,7,7-trimethylbicyclo[2.2.1]hept-2-ylidene]amino}oxy)propyl]piperazin-1-yl}-3-{[(E)-(1,7,7-trimethylbicyclo[2.2.1]hept-2-ylidene)methyl]oxy}propan-2-ol
Smiles: OC(CN1CCN(CC1)CC(CO/N=C/1\CC2C(C1(C)CC2)(C)C)O)CO/C=C/1\CC2C(C1(C)CC2)(C)C

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Saltdata: 2HCl
Molecular Weight: 531.78
Empirical Formula: C31H53N3O4

Physical State: Dry powder
Available Amount: 93 mg

Lipinsky:
logP: 6.92
Rotatable bonds: 10
H-donors: 2
H-acceptors: 4
PSA: 77
Number of rings: 5

     

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