Molecular Properties | |
SMILES: | CNC(=O)CN1CC(C(=O)Nc2cncc3cc(S(C)(=O)=O)ccc23)c2cc(Cl)ccc2C1=O |
MW: | 500.09 |
Fraction sp3: | 0.22 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 125.54 |
cLogP: | 2.22 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 0.0743469808288495 |
Order Status | |
Ordered: | 2021-08-07 |
Synthesis Location: | enamine |
Shipped: | 2021-09-12 |
EDJ-MED-d165ed91-6
EDJ-MED-d165ed91-5
EDJ-MED-d165ed91-3
EDJ-MED-d165ed91-2
EDJ-MED-d165ed91-1
EDJ-MED-d165ed91-4
PET-UNK-3324058f-6
PET-UNK-3324058f-5
PET-UNK-3324058f-4
PET-UNK-3324058f-7
PET-UNK-3324058f-2
PET-UNK-3324058f-1
PET-UNK-3324058f-8
PET-UNK-3324058f-3
PET-UNK-c671f938-8
PET-UNK-c671f938-6
PET-UNK-c671f938-4
PET-UNK-c671f938-3
PET-UNK-c671f938-1
PET-UNK-c671f938-7
PET-UNK-c671f938-5
PET-UNK-c671f938-2
PET-UNK-6e612674-16
PET-UNK-6e612674-12
PET-UNK-6e612674-11
PET-UNK-6e612674-7
PET-UNK-6e612674-6
PET-UNK-6e612674-3
PET-UNK-6e612674-2
PET-UNK-6e612674-1
PET-UNK-6e612674-15
PET-UNK-6e612674-14
PET-UNK-6e612674-13
PET-UNK-6e612674-10
PET-UNK-6e612674-9
PET-UNK-6e612674-8
PET-UNK-6e612674-5
PET-UNK-6e612674-4
MAT-POS-2e8b2191-12
1.000
EDJ-MED-c99b2211-4
0.854
EDJ-MED-e69ed63d-12
0.854
EDJ-MED-d165ed91-4
0.854
EDJ-MED-e69ed63d-8
0.845
EDJ-MED-e69ed63d-2
0.837
EDJ-MED-e69ed63d-4
0.828
EDJ-MED-e69ed63d-14
0.820
EDJ-MED-e69ed63d-16
0.820
EDJ-MED-c99b2211-3
0.820
EDJ-MED-e69ed63d-5
0.812
EDJ-MED-d165ed91-3
0.812
EDJ-MED-e69ed63d-10
0.812
EDJ-MED-0186a59b-6
0.806
LUO-POS-74179f4f-1
0.806
LUO-POS-edefcc0e-1
0.806
EDJ-MED-e69ed63d-18
0.804
MAT-POS-b4d6b7fc-2
0.782
EDJ-MED-827e7cb4-3
0.776
EDJ-MED-ce467fd5-1
0.776
PET-UNK-c671f938-3
0.773
EDJ-MED-41558c53-10
0.773
PET-UNK-c671f938-7
0.773
EDJ-MED-0186a59b-5
0.765
MAT-POS-c7726e07-2
0.765
MAT-POS-e119ab4f-1
0.765
MAT-POS-c7726e07-1
0.765
EDJ-MED-41558c53-12
0.758
MAT-POS-b4d6b7fc-4
0.757
EDJ-MED-41558c53-14
0.735
MAT-POS-a54ce14d-3
0.732
MAT-POS-a54ce14d-2
0.732
EDJ-MED-015fb6b4-2
0.732
MAT-POS-acfe5bae-2
0.732
EDJ-MED-41558c53-8
0.728
JOH-UNI-d2a12aa9-2
0.708
PET-UNK-c6bcc80b-10
0.708
PET-UNK-c6bcc80b-3
0.708
EDJ-MED-41558c53-6
0.701
PET-UNK-3324058f-3
0.701
PET-UNK-3324058f-7
0.701
EDJ-MED-d165ed91-1
0.689
EDJ-MED-41558c53-2
0.689
JOH-UNI-d2a12aa9-4
0.679
MAT-POS-c7726e07-3
0.676
MAT-POS-e119ab4f-2
0.676
MAT-POS-c7726e07-4
0.676
MAT-POS-2e8b2191-11
0.673
EDG-MED-e300b289-3
0.667
EDJ-MED-41558c53-4
0.664
EDJ-MED-d165ed91-2
0.664
MAT-POS-13080fc6-4
0.664
MAT-POS-37ffad05-1
0.661
EDJ-MED-e69ed63d-11
0.660
EDG-MED-e300b289-2
0.657
EDJ-MED-d165ed91-5
0.654
EDG-MED-e300b289-1
0.654
MAT-POS-97ec4bd1-4
0.651
EDJ-MED-e69ed63d-7
0.645
EDJ-MED-968bafd9-2
0.640
EDJ-MED-d165ed91-6
0.639
EDJ-MED-e69ed63d-1
0.639
EDJ-MED-c99b2211-2
0.638
RAL-THA-a9c31980-4
0.638
MIC-UNK-51049f1a-2
0.638
EDJ-MED-7889e8da-5
0.630
EDJ-MED-0186a59b-3
0.630
EDJ-MED-e69ed63d-13
0.627
EDJ-MED-e69ed63d-15
0.627
JOH-UNI-d2a12aa9-1
0.625
MAT-POS-13080fc6-2
0.624
EDJ-MED-e69ed63d-3
0.624
PET-UNK-f860268d-2
0.624
PET-UNK-f860268d-5
0.624
LUO-POS-868e8996-3
0.623
LUO-POS-868e8996-4
0.623
RAL-THA-a9c31980-1
0.623
EDG-MED-ee636701-1
0.620
EDJ-MED-43f8f7d6-3
0.617
RAL-THA-a9c31980-3
0.617
JOH-UNI-6b98e24c-1
0.617
MIC-UNK-51049f1a-1
0.615
EDJ-MED-e69ed63d-6
0.613
EDJ-MED-e69ed63d-17
0.613
EDJ-MED-e69ed63d-9
0.613
RAL-THA-a9c31980-5
0.611
RAL-THA-a9c31980-6
0.611
EDJ-MED-75baa495-3
0.607
EDJ-MED-0186a59b-8
0.607
EDJ-MED-41558c53-7
0.607
MIK-ENA-5d9157e9-4
0.607
MIK-ENA-5d9157e9-3
0.607
EDJ-MED-c99b2211-1
0.606
EDJ-MED-41558c53-9
0.604
PET-UNK-c7ac4d9e-1
0.604
PET-UNK-c7ac4d9e-2
0.604
RAL-THA-5e0a6f1a-1
0.604
EDJ-MED-43f8f7d6-4
0.602
MAT-POS-e119ab4f-3
0.602
PET-UNK-c671f938-4
0.600