Molecular Properties | |
SMILES: | CNC(=O)CN1Cc2ccc(Cl)cc2C(C(=O)Nc2cncc3ccc(NS(C)(=O)=O)cc23)C1 |
MW: | 501.12 |
Fraction sp3: | 0.26 |
HBA: | 6 |
HBD: | 3 |
Rotatable Bonds: | 6 |
TPSA: | 120.5 |
cLogP: | 2.54 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 0.288260506326418 |
Order Status | |
Ordered: | 2021-08-07 |
Synthesis Location: | enamine |
Shipped: | 2021-09-12 |
Hetero_hetero
MAT-POS-b4d6b7fc-1
0.792
MAT-POS-97ec4bd1-3
0.745
PET-UNK-c6bcc80b-2
0.740
PET-UNK-c6bcc80b-9
0.740
MAT-POS-8293a91a-4
0.724
MAT-POS-4223bc15-23
0.724
MAT-POS-8293a91a-5
0.724
EDJ-MED-0186a59b-2
0.700
EDJ-MED-7889e8da-3
0.700
EDJ-MED-0186a59b-3
0.679
EDJ-MED-7889e8da-5
0.679
MAT-POS-13080fc6-5
0.673
MAT-POS-2e8b2191-9
0.667
EDJ-MED-378a25ea-26
0.667
MAT-POS-e36d57d9-1
0.667
MAT-POS-2e8b2191-11
0.661
EDJ-MED-4f4dd660-1
0.655
EDJ-MED-0186a59b-1
0.651
EDJ-MED-7889e8da-1
0.651
BEN-DND-f06bfa8e-2
0.651
ALP-POS-6f6ae286-5
0.651
MAT-POS-b4d6b7fc-3
0.649
EDJ-MED-4f4dd660-3
0.643
MAT-POS-13080fc6-6
0.636
JOH-UNI-ededfdb6-1
0.626
EDJ-MED-4f4dd660-5
0.623
ALP-POS-1460fd94-1
0.622
NIR-WEI-dcc3321b-6
0.618
EDJ-MED-009f762b-5
0.611
RAL-THA-ee48ba5f-5
0.610
EDJ-MED-c40d95bc-2
0.606
MAT-POS-4223bc15-25
0.606
MAT-POS-4223bc15-21
0.606
MAT-POS-5cd9ea36-15
0.606
EDJ-MED-fa7708b3-1
0.602
RAL-THA-ee48ba5f-1
0.602
MAT-POS-4223bc15-24
0.598
MAT-POS-4223bc15-22
0.598
EDJ-MED-0186a59b-4
0.596
MAT-POS-5cd9ea36-13
0.596
MIC-UNK-51049f1a-4
0.596
EDJ-MED-c82a5324-2
0.595
EDJ-MED-c82a5324-3
0.595
PET-UNK-329a9ce9-1
0.593
EDJ-MED-c4e42105-2
0.586
MIC-UNK-51049f1a-3
0.584
EDJ-MED-c4e42105-3
0.579
JOH-UNI-ededfdb6-4
0.569
EDJ-MED-c4e42105-1
0.567
EDJ-MED-ede277f6-6
0.564
EDJ-MED-ede277f6-8
0.564
PET-UNK-162c14b2-2
0.560
RAL-THA-ee48ba5f-4
0.560
EDJ-MED-c4e42105-4
0.559
JOH-UNI-ededfdb6-9
0.559
NIR-WEI-dcc3321b-1
0.557
FRA-DIA-6238d354-2
0.556
EDJ-MED-e9a22d5d-1
0.556
RAL-THA-ee48ba5f-2
0.554
MAT-POS-4223bc15-27
0.550
JOH-UNI-ededfdb6-2
0.550
EDJ-MED-c40d95bc-1
0.547
PET-UNK-162c14b2-1
0.546
PET-UNK-03fd2068-3
0.546
MAT-POS-61f37a1a-12
0.546
MAT-POS-24589f88-3
0.542
MAT-POS-dd3ad2b5-4
0.542
MAT-POS-24589f88-2
0.542
MIC-UNK-482af05e-1
0.541
NIR-WEI-dcc3321b-4
0.540
MAT-UNK-f490e871-1
0.540
MAT-UNK-04ae9652-1
0.540
EDJ-MED-ede277f6-4
0.538
MIC-UNK-482af05e-2
0.536
MAT-POS-4223bc15-26
0.536
EDJ-MED-d9f3798e-1
0.536
EDJ-MED-d9f3798e-3
0.536
MAT-POS-4223bc15-28
0.536
MAT-POS-c7726e07-7
0.533
EDJ-MED-378a25ea-25
0.533
MAT-POS-c7726e07-8
0.533
EDJ-MED-be9e6f63-3
0.533
NIR-WEI-dcc3321b-3
0.532
EDJ-MED-841e0cf0-7
0.532
EDJ-MED-670ad2ee-9
0.532
EDJ-MED-670ad2ee-10
0.532
EDJ-MED-d9f3798e-2
0.531
MAT-UNK-35705829-1
0.531
CLI-TLC-36f34aa2-1
0.530
RAL-THA-ee48ba5f-6
0.530
EDJ-MED-ede277f6-7
0.530
MAT-POS-24589f88-16
0.530
EDJ-MED-009f762b-1
0.530
MAT-POS-4223bc15-19
0.528
RAL-THA-6e4c80cf-1
0.528
MAT-POS-4223bc15-1
0.527
MAT-POS-4223bc15-6
0.527
MAT-POS-61f37a1a-13
0.525
EDJ-MED-009f762b-4
0.525
EDJ-MED-378a25ea-10
0.525