Molecular Properties | |
SMILES: | CNC(=O)CN1CC(C(=O)Nc2cncc3ccc(NS(C)(=O)=O)cc23)c2cc(Cl)ccc2C1=O |
MW: | 515.1 |
Fraction sp3: | 0.22 |
HBA: | 6 |
HBD: | 3 |
Rotatable Bonds: | 6 |
TPSA: | 137.57 |
cLogP: | 2.18 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 0.0664638664857435 |
Order Status | |
Ordered: | 2021-08-07 |
Synthesis Location: | enamine |
Shipped: | 2021-09-01 |
Hetero_hetero
EDJ-MED-c4e42105-2
0.850
EDJ-MED-c4e42105-1
0.817
MAT-POS-b4d6b7fc-2
0.794
EDJ-MED-827e7cb4-3
0.770
EDJ-MED-ce467fd5-1
0.770
MAT-POS-e119ab4f-2
0.740
MAT-POS-c7726e07-4
0.740
MAT-POS-c7726e07-3
0.740
MAT-POS-97ec4bd1-4
0.728
PET-UNK-c6bcc80b-10
0.720
MAT-POS-37ffad05-1
0.720
JOH-UNI-d2a12aa9-2
0.720
PET-UNK-c6bcc80b-3
0.720
EDJ-MED-c4e42105-3
0.708
JOH-UNI-d2a12aa9-4
0.706
MAT-POS-a54ce14d-2
0.693
MAT-POS-a54ce14d-3
0.693
LUO-POS-edefcc0e-1
0.693
LUO-POS-74179f4f-1
0.693
MAT-POS-acfe5bae-2
0.693
EDJ-MED-015fb6b4-2
0.693
EDJ-MED-0186a59b-6
0.693
EDJ-MED-c4e42105-4
0.682
MAT-POS-2e8b2191-12
0.673
EDJ-MED-0186a59b-7
0.673
MAT-POS-13080fc6-2
0.667
MAT-POS-2e8b2191-10
0.661
JOH-UNI-d2a12aa9-1
0.652
MAT-POS-e119ab4f-1
0.645
EDJ-MED-0186a59b-5
0.645
MAT-POS-c7726e07-1
0.645
MAT-POS-c7726e07-2
0.645
MAT-POS-b4d6b7fc-4
0.643
JOH-UNI-d2a12aa9-3
0.640
MAT-POS-13080fc6-4
0.631
EDJ-MED-75baa495-3
0.620
PET-UNK-c671f938-4
0.613
PET-UNK-c671f938-8
0.613
EDJ-MED-d9f3798e-1
0.602
RAL-THA-a9c31980-3
0.600
EDJ-MED-43f8f7d6-3
0.600
MAT-POS-e119ab4f-3
0.600
JOH-UNI-6b98e24c-1
0.600
MIK-ENA-5d9157e9-4
0.591
LUO-POS-868e8996-3
0.591
LUO-POS-868e8996-4
0.591
MIC-UNK-51049f1a-2
0.591
RAL-THA-a9c31980-1
0.591
EDJ-MED-c99b2211-2
0.591
EDJ-MED-0186a59b-8
0.591
RAL-THA-a9c31980-4
0.591
MIK-ENA-5d9157e9-3
0.591
PET-UNK-f860268d-2
0.590
PET-UNK-f860268d-5
0.590
PET-UNK-c7ac4d9e-1
0.587
PET-UNK-c7ac4d9e-2
0.587
MIC-UNK-51049f1a-1
0.584
RAL-THA-a9c31980-5
0.580
EDJ-MED-343bb62d-1
0.578
EDJ-MED-e69ed63d-2
0.578
EDJ-MED-c99b2211-1
0.575
EDJ-MED-c99b2211-4
0.574
EDJ-MED-d165ed91-4
0.574
EDJ-MED-e69ed63d-12
0.574
RAL-THA-5e0a6f1a-1
0.573
EDJ-MED-43f8f7d6-4
0.571
ALP-POS-4483ae88-3
0.571
EDJ-MED-43f8f7d6-6
0.570
EDJ-MED-ce467fd5-2
0.570
EDJ-MED-e69ed63d-8
0.569
EDJ-MED-eb111c00-4
0.569
EDJ-MED-e69ed63d-16
0.568
EDG-MED-e300b289-2
0.566
RAL-THA-a9c31980-6
0.566
EDJ-MED-e69ed63d-5
0.563
EDJ-MED-d165ed91-3
0.563
ALP-POS-b3e0acc5-1
0.562
EDG-MED-e300b289-1
0.562
RAL-THA-a9c31980-2
0.561
EDJ-MED-e69ed63d-4
0.559
PET-UNK-3324058f-8
0.557
PET-UNK-3324058f-4
0.557
RAL-THA-a9c31980-8
0.557
EDJ-MED-e69ed63d-14
0.555
EDJ-MED-c99b2211-3
0.555
EDJ-MED-e69ed63d-1
0.552
RAL-THA-a9c31980-9
0.552
EDJ-MED-e69ed63d-10
0.550
EDG-MED-e300b289-3
0.548
EDJ-MED-e69ed63d-18
0.545
EDJ-MED-d9f3798e-3
0.545
PET-UNK-329a9ce9-1
0.545
EDJ-MED-e69ed63d-7
0.543
EDJ-MED-e69ed63d-11
0.543
MAT-POS-2e8b2191-9
0.537
EDJ-MED-378a25ea-26
0.537
MAT-POS-e36d57d9-1
0.537
EDJ-MED-41558c53-7
0.535
MIC-UNK-482af05e-4
0.532
EDJ-MED-ce467fd5-4
0.530