Molecular Properties | |
SMILES: | CCNC(=O)CN1CC(C(=O)Nc2cncc3cc(S(C)(=O)=O)ccc23)c2cc(Cl)ccc2C1=O |
MW: | 514.11 |
Fraction sp3: | 0.25 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 125.54 |
cLogP: | 2.61 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 0.10080048527048 |
Order Status | |
Ordered: | 2021-09-20 |
Synthesis Location: | enamine |
Shipped: | 2021-10-28 |
EDJ-MED-e69ed63d-14
0.869
EDJ-MED-e69ed63d-16
0.850
EDJ-MED-0186a59b-7
0.845
MAT-POS-2e8b2191-12
0.845
EDJ-MED-e69ed63d-18
0.833
EDJ-MED-d165ed91-4
0.828
EDJ-MED-c99b2211-4
0.828
EDJ-MED-e69ed63d-12
0.828
EDJ-MED-e69ed63d-2
0.812
EDJ-MED-e69ed63d-4
0.804
EDJ-MED-c99b2211-3
0.796
EDJ-MED-d165ed91-3
0.788
EDJ-MED-e69ed63d-5
0.788
EDJ-MED-e69ed63d-10
0.788
EDJ-MED-e69ed63d-7
0.772
PET-UNK-c671f938-3
0.750
EDJ-MED-41558c53-10
0.750
PET-UNK-c671f938-7
0.750
EDJ-MED-41558c53-12
0.735
LUO-POS-868e8996-3
0.733
RAL-THA-a9c31980-1
0.733
LUO-POS-868e8996-4
0.733
EDJ-MED-41558c53-14
0.714
EDJ-MED-41558c53-8
0.708
EDG-MED-e300b289-3
0.695
LUO-POS-edefcc0e-1
0.693
EDJ-MED-0186a59b-6
0.693
LUO-POS-74179f4f-1
0.693
EDG-MED-e300b289-2
0.686
EDG-MED-e300b289-1
0.683
EDJ-MED-41558c53-6
0.682
PET-UNK-3324058f-3
0.682
PET-UNK-3324058f-7
0.682
EDJ-MED-e69ed63d-13
0.670
MAT-POS-b4d6b7fc-2
0.664
EDJ-MED-e69ed63d-15
0.655
EDJ-MED-ce467fd5-1
0.654
EDJ-MED-827e7cb4-3
0.654
EDJ-MED-d165ed91-5
0.651
MAT-POS-c7726e07-2
0.645
EDJ-MED-0186a59b-5
0.645
MAT-POS-c7726e07-1
0.645
MAT-POS-e119ab4f-1
0.645
MAT-POS-b4d6b7fc-4
0.643
EDJ-MED-e69ed63d-11
0.642
EDJ-MED-e69ed63d-17
0.640
RAL-THA-a9c31980-5
0.639
EDJ-MED-d165ed91-1
0.639
EDJ-MED-41558c53-2
0.639
EDJ-MED-d165ed91-6
0.636
RAL-THA-a9c31980-6
0.624
EDJ-MED-968bafd9-2
0.623
EDJ-MED-e69ed63d-1
0.622
EDJ-MED-41558c53-4
0.616
EDJ-MED-d165ed91-2
0.616
MAT-POS-a54ce14d-2
0.613
EDJ-MED-015fb6b4-2
0.613
MAT-POS-acfe5bae-2
0.613
MAT-POS-a54ce14d-3
0.613
EDJ-MED-e69ed63d-3
0.607
RAL-THA-a9c31980-9
0.607
RAL-THA-a9c31980-4
0.606
EDJ-MED-c99b2211-2
0.606
EDJ-MED-41558c53-7
0.606
EDJ-MED-41558c53-9
0.602
JOH-UNI-d2a12aa9-2
0.600
PET-UNK-c6bcc80b-3
0.600
PET-UNK-c6bcc80b-10
0.600
RAL-THA-a9c31980-8
0.598
EDJ-MED-e69ed63d-9
0.596
EDJ-MED-e69ed63d-6
0.596
PET-UNK-c671f938-6
0.596
PET-UNK-c671f938-2
0.596
EDJ-MED-41558c53-11
0.594
PET-UNK-f860268d-2
0.590
PET-UNK-f860268d-5
0.590
EDJ-MED-43f8f7d6-3
0.586
RAL-THA-a9c31980-3
0.586
JOH-UNI-6b98e24c-1
0.586
PET-UNK-c671f938-4
0.584
PET-UNK-c671f938-8
0.584
JOH-UNI-d2a12aa9-4
0.576
EDJ-MED-c99b2211-1
0.575
PET-UNK-c7ac4d9e-1
0.573
RAL-THA-5e0a6f1a-1
0.573
PET-UNK-c7ac4d9e-2
0.573
EDJ-MED-ede277f6-6
0.573
EDJ-MED-43f8f7d6-4
0.571
EDJ-MED-43f8f7d6-6
0.570
MAT-POS-2e8b2191-11
0.569
EDJ-MED-41558c53-13
0.569
EDJ-MED-eb111c00-4
0.569
EDJ-MED-c4e42105-2
0.568
MAT-POS-c7726e07-4
0.568
MAT-POS-e119ab4f-2
0.568
MAT-POS-c7726e07-3
0.568
PET-UNK-c671f938-5
0.564
PET-UNK-c671f938-1
0.564
ALP-POS-b3e0acc5-1
0.562
RAL-THA-a9c31980-2
0.561