Molecular Properties | |
SMILES: | O=C(CN1CC(C(=O)Nc2cncc3cc(F)ccc23)c2cc(Cl)ccc2C1=O)NC1COC1 |
MW: | 482.12 |
Fraction sp3: | 0.25 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 100.63 |
cLogP: | 2.72 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 1.00915221341877 |
Order Status | |
Ordered: | 2021-09-20 |
Synthesis Location: | enamine |
Shipped: | 2021-10-07 |
Oxetanes, thietanes
EDJ-MED-e69ed63d-3
0.875
EDJ-MED-e69ed63d-9
0.857
EDJ-MED-0186a59b-5
0.796
MAT-POS-e119ab4f-1
0.796
MAT-POS-c7726e07-1
0.796
MAT-POS-c7726e07-2
0.796
EDJ-MED-43f8f7d6-6
0.790
EDJ-MED-e69ed63d-7
0.772
EDJ-MED-e69ed63d-11
0.772
EDJ-MED-e69ed63d-5
0.771
EDJ-MED-d165ed91-3
0.771
EDJ-MED-e69ed63d-1
0.765
EDJ-MED-e69ed63d-13
0.750
EDJ-MED-e69ed63d-15
0.750
EDJ-MED-e69ed63d-17
0.750
PET-UNK-c671f938-5
0.720
PET-UNK-c671f938-1
0.720
EDJ-MED-75baa495-1
0.701
EDG-MED-e300b289-3
0.679
EDJ-MED-0186a59b-6
0.676
LUO-POS-edefcc0e-1
0.676
LUO-POS-74179f4f-1
0.676
EDJ-MED-43f8f7d6-4
0.676
EDJ-MED-e69ed63d-4
0.673
EDJ-MED-c4e42105-1
0.673
PET-UNK-3324058f-1
0.664
PET-UNK-3324058f-5
0.664
RAL-THA-a9c31980-2
0.664
EDJ-MED-e69ed63d-10
0.661
EDG-MED-ee636701-4
0.655
EDG-MED-e300b289-1
0.651
EDG-MED-e300b289-2
0.639
MAT-POS-c7726e07-4
0.626
MAT-POS-e119ab4f-2
0.626
MAT-POS-c7726e07-3
0.626
PET-UNK-f860268d-2
0.621
PET-UNK-f860268d-5
0.621
EDJ-MED-015fb6b4-2
0.613
MAT-POS-acfe5bae-2
0.613
MAT-POS-a54ce14d-2
0.613
MAT-POS-a54ce14d-3
0.613
MAT-POS-2e8b2191-12
0.613
EDJ-MED-0186a59b-7
0.613
EDG-MED-9fc99cca-1
0.613
MAT-POS-b4d6b7fc-2
0.605
EDJ-MED-41558c53-9
0.602
EDJ-MED-e69ed63d-12
0.602
EDJ-MED-c99b2211-4
0.602
EDJ-MED-d165ed91-4
0.602
EDJ-MED-e69ed63d-8
0.596
PET-UNK-c671f938-2
0.596
PET-UNK-c671f938-6
0.596
EDJ-MED-41558c53-11
0.594
EDG-MED-9fc99cca-2
0.593
EDJ-MED-e69ed63d-2
0.591
RAL-THA-a9c31980-1
0.591
EDJ-MED-c99b2211-2
0.591
RAL-THA-a9c31980-4
0.591
LUO-POS-868e8996-3
0.591
LUO-POS-868e8996-4
0.591
MAT-POS-b4d6b7fc-4
0.586
RAL-THA-a9c31980-3
0.586
EDJ-MED-43f8f7d6-3
0.586
JOH-UNI-6b98e24c-1
0.586
EDJ-MED-e69ed63d-18
0.585
RAL-THA-a9c31980-8
0.584
EDJ-MED-e69ed63d-14
0.581
EDJ-MED-e69ed63d-16
0.581
EDJ-MED-c99b2211-3
0.581
RAL-THA-a9c31980-5
0.580
RAL-THA-a9c31980-6
0.580
EDJ-MED-c99b2211-1
0.575
PET-UNK-c7ac4d9e-2
0.573
PET-UNK-c7ac4d9e-1
0.573
RAL-THA-5e0a6f1a-1
0.573
EDJ-MED-41558c53-13
0.569
RAL-THA-a9c31980-9
0.565
MIC-UNK-482af05e-4
0.560
JOH-UNI-d2a12aa9-2
0.559
PET-UNK-c6bcc80b-3
0.559
PET-UNK-c6bcc80b-10
0.559
EDJ-MED-41558c53-5
0.553
PET-UNK-3324058f-2
0.553
PET-UNK-3324058f-6
0.553
EDJ-MED-ede277f6-7
0.552
EDJ-MED-41558c53-7
0.549
MAT-POS-97ec4bd1-4
0.548
EDG-MED-ee636701-2
0.544
PET-UNK-4d432d33-2
0.541
PET-UNK-4d432d33-6
0.541
EDJ-MED-eb111c00-3
0.541
MIC-UNK-482af05e-3
0.541
EDJ-MED-827e7cb4-3
0.539
EDJ-MED-41558c53-12
0.539
EDJ-MED-ce467fd5-1
0.539
ALP-POS-6f6ae286-1
0.537
PET-UNK-7279c968-5
0.537
PET-UNK-4d432d33-1
0.536
PET-UNK-4d432d33-5
0.536
EDJ-MED-41558c53-10
0.535