Molecular Properties | |
SMILES: | CCCNC(=O)CN1CC(C(=O)Nc2cncc3cc(S(C)(=O)=O)ccc23)c2cc(Cl)ccc2C1=O |
MW: | 528.12 |
Fraction sp3: | 0.28 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 7 |
TPSA: | 125.54 |
cLogP: | 3.0 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 0.167607832390081 |
Order Status | |
Ordered: | 2021-09-20 |
Synthesis Location: | enamine |
Shipped: | 2021-10-20 |
Long aliphatic chain
EDJ-MED-e69ed63d-8
0.869
EDJ-MED-e69ed63d-16
0.825
EDJ-MED-0186a59b-7
0.820
MAT-POS-2e8b2191-12
0.820
EDJ-MED-e69ed63d-18
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EDJ-MED-e69ed63d-12
0.804
EDJ-MED-c99b2211-4
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EDJ-MED-d165ed91-4
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EDJ-MED-e69ed63d-2
0.788
EDJ-MED-e69ed63d-4
0.781
EDJ-MED-e69ed63d-13
0.779
EDJ-MED-c99b2211-3
0.774
EDJ-MED-d165ed91-3
0.766
EDJ-MED-e69ed63d-5
0.766
EDJ-MED-e69ed63d-10
0.766
RAL-THA-a9c31980-5
0.748
EDJ-MED-41558c53-10
0.728
PET-UNK-c671f938-3
0.728
PET-UNK-c671f938-7
0.728
EDJ-MED-41558c53-12
0.714
EDG-MED-e300b289-1
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EDJ-MED-41558c53-8
0.704
EDJ-MED-41558c53-14
0.694
EDG-MED-e300b289-2
0.682
EDG-MED-e300b289-3
0.676
EDJ-MED-0186a59b-6
0.673
LUO-POS-edefcc0e-1
0.673
LUO-POS-74179f4f-1
0.673
EDJ-MED-e69ed63d-7
0.670
PET-UNK-3324058f-3
0.664
PET-UNK-3324058f-7
0.664
EDJ-MED-41558c53-6
0.664
EDJ-MED-d165ed91-5
0.649
LUO-POS-868e8996-3
0.648
LUO-POS-868e8996-4
0.648
RAL-THA-a9c31980-1
0.648
MAT-POS-b4d6b7fc-2
0.646
EDJ-MED-e69ed63d-15
0.637
EDJ-MED-ce467fd5-1
0.636
EDJ-MED-827e7cb4-3
0.636
EDJ-MED-d165ed91-6
0.634
MAT-POS-e119ab4f-1
0.627
EDJ-MED-0186a59b-5
0.627
MAT-POS-c7726e07-2
0.627
MAT-POS-c7726e07-1
0.627
MAT-POS-b4d6b7fc-4
0.626
EDJ-MED-e69ed63d-11
0.625
EDJ-MED-e69ed63d-17
0.623
EDJ-MED-41558c53-2
0.622
EDJ-MED-d165ed91-1
0.622
RAL-THA-a9c31980-6
0.622
EDJ-MED-41558c53-4
0.614
EDJ-MED-d165ed91-2
0.614
JOH-UNI-d2a12aa9-2
0.612
MAT-POS-a54ce14d-3
0.611
EDJ-MED-015fb6b4-2
0.611
MAT-POS-a54ce14d-2
0.611
MAT-POS-acfe5bae-2
0.611
EDJ-MED-968bafd9-2
0.607
RAL-THA-a9c31980-9
0.605
EDJ-MED-e69ed63d-1
0.605
EDJ-MED-c99b2211-2
0.604
RAL-THA-a9c31980-4
0.604
EDJ-MED-41558c53-7
0.604
PET-UNK-c6bcc80b-10
0.598
PET-UNK-c6bcc80b-3
0.598
RAL-THA-a9c31980-8
0.596
EDJ-MED-e69ed63d-3
0.591
PET-UNK-f860268d-5
0.589
PET-UNK-f860268d-2
0.589
EDJ-MED-41558c53-9
0.585
EDJ-MED-43f8f7d6-3
0.584
RAL-THA-a9c31980-3
0.584
JOH-UNI-6b98e24c-1
0.584
EDJ-MED-e69ed63d-6
0.581
EDJ-MED-e69ed63d-9
0.581
PET-UNK-c671f938-6
0.579
PET-UNK-c671f938-2
0.579
EDJ-MED-41558c53-11
0.578
JOH-UNI-d2a12aa9-4
0.575
EDJ-MED-c99b2211-1
0.574
RAL-THA-5e0a6f1a-1
0.571
PET-UNK-c7ac4d9e-1
0.571
PET-UNK-c7ac4d9e-2
0.571
EDJ-MED-43f8f7d6-4
0.570
EDJ-MED-43f8f7d6-6
0.569
PET-UNK-c671f938-8
0.569
PET-UNK-c671f938-4
0.569
EDJ-MED-eb111c00-4
0.568
ALP-POS-b3e0acc5-1
0.561
RAL-THA-a9c31980-2
0.560
MAT-POS-13080fc6-4
0.559
EDJ-MED-ede277f6-6
0.558
MAT-POS-2e8b2191-11
0.555
EDJ-MED-c4e42105-2
0.554
EDJ-MED-41558c53-13
0.554
MAT-POS-c7726e07-3
0.553
MAT-POS-c7726e07-4
0.553
MAT-POS-e119ab4f-2
0.553
PET-UNK-c671f938-5
0.549