Molecular Properties | |
SMILES: | CNC(=O)CN1Cc2ccc(Cl)cc2C(C(=O)Nc2cncc3cc(NS(C)(=O)=O)ccc23)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: | 0.0728003945411988 |
Order Status | |
Ordered: | 2021-10-05 |
Synthesis Location: | enamine |
Shipped: | 2021-11-10 |
Hetero_hetero
PET-UNK-c6bcc80b-13
PET-UNK-c6bcc80b-7
PET-UNK-c6bcc80b-6
PET-UNK-c6bcc80b-5
PET-UNK-c6bcc80b-4
PET-UNK-c6bcc80b-3
PET-UNK-c6bcc80b-2
PET-UNK-c6bcc80b-1
PET-UNK-c6bcc80b-12
PET-UNK-c6bcc80b-11
PET-UNK-c6bcc80b-10
PET-UNK-c6bcc80b-9
PET-UNK-c6bcc80b-8
EDJ-MED-7889e8da-3
0.800
EDJ-MED-0186a59b-2
0.800
MAT-POS-2e8b2191-10
0.792
EDJ-MED-7889e8da-5
0.790
EDJ-MED-0186a59b-3
0.790
EDJ-MED-4f4dd660-1
0.743
EDJ-MED-0186a59b-1
0.743
EDJ-MED-7889e8da-1
0.743
BEN-DND-f06bfa8e-2
0.743
ALP-POS-6f6ae286-5
0.743
MAT-POS-b4d6b7fc-3
0.736
MAT-POS-8293a91a-5
0.735
MAT-POS-4223bc15-23
0.735
MAT-POS-8293a91a-4
0.735
PET-UNK-c6bcc80b-9
0.733
PET-UNK-c6bcc80b-2
0.733
EDJ-MED-4f4dd660-3
0.729
ALP-POS-1460fd94-1
0.708
EDJ-MED-4f4dd660-5
0.706
MAT-POS-c7726e07-8
0.682
EDJ-MED-378a25ea-25
0.682
EDJ-MED-be9e6f63-3
0.682
MAT-POS-c7726e07-7
0.682
MAT-POS-13080fc6-5
0.667
EDJ-MED-ede277f6-6
0.658
EDJ-MED-ede277f6-8
0.658
MAT-POS-97ec4bd1-3
0.657
MAT-POS-b4d6b7fc-2
0.649
MAT-POS-13080fc6-6
0.631
NIR-WEI-dcc3321b-6
0.627
JOH-UNI-ededfdb6-1
0.620
RAL-THA-ee48ba5f-5
0.619
EDJ-MED-c82a5324-2
0.618
EDJ-MED-ede277f6-4
0.616
EDJ-MED-c40d95bc-2
0.615
MAT-POS-4223bc15-21
0.615
MAT-POS-4223bc15-25
0.615
MAT-POS-5cd9ea36-15
0.615
EDJ-MED-fa7708b3-1
0.611
RAL-THA-ee48ba5f-1
0.611
MAT-POS-4223bc15-24
0.607
MAT-POS-4223bc15-22
0.607
EDJ-MED-ede277f6-7
0.607
MIC-UNK-51049f1a-4
0.606
MAT-POS-5cd9ea36-13
0.606
EDJ-MED-c82a5324-3
0.604
MAT-POS-22373164-2
0.598
PET-UNK-c671f938-8
0.598
PET-UNK-c671f938-4
0.598
EDJ-MED-0186a59b-4
0.591
MAT-POS-22373164-3
0.588
RAL-THA-ee48ba5f-2
0.577
MAT-POS-22373164-4
0.575
RAL-THA-ee48ba5f-4
0.569
NIR-WEI-dcc3321b-1
0.566
MIC-UNK-51049f1a-3
0.565
EDJ-MED-e9a22d5d-1
0.565
JOH-UNI-ededfdb6-4
0.564
MAT-UNK-f490e871-1
0.562
MAT-POS-4223bc15-27
0.560
MIC-UNK-482af05e-2
0.560
NIR-WEI-dcc3321b-5
0.557
MAT-POS-61f37a1a-12
0.556
PET-UNK-162c14b2-1
0.556
MAT-UNK-35705829-1
0.554
JOH-UNI-ededfdb6-9
0.554
CLI-TLC-36f34aa2-1
0.553
NIR-WEI-dcc3321b-3
0.552
MAT-POS-24589f88-2
0.551
MAT-POS-24589f88-3
0.551
MAT-POS-dd3ad2b5-4
0.551
TET-ENA-382364b7-1
0.550
MAT-POS-4223bc15-6
0.550
MAT-POS-2e8b2191-9
0.550
EDJ-MED-378a25ea-26
0.550
EDJ-MED-378a25ea-18
0.550
MAT-POS-e36d57d9-1
0.550
MIC-UNK-482af05e-1
0.550
MAT-UNK-04ae9652-1
0.549
PET-UNK-03fd2068-4
0.545
MAT-POS-4223bc15-26
0.545
MAT-POS-4223bc15-28
0.545
EDJ-MED-7889e8da-4
0.544
EDJ-MED-be9e6f63-4
0.544
EDJ-MED-c40d95bc-1
0.542
RAL-THA-ee48ba5f-6
0.539
EDJ-MED-378a25ea-9
0.538
EDJ-MED-7889e8da-6
0.538
MAT-POS-dd3ad2b5-5
0.536
MAT-POS-4223bc15-1
0.536
NIR-WEI-dcc3321b-4
0.536
EDG-MED-f9979214-1
0.536
NIR-WEI-dcc3321b-2
0.535
EDJ-MED-76744c27-5
0.535
EDJ-MED-009f762b-5
0.535
EDJ-MED-12c4873b-3
0.532
JOH-UNI-ededfdb6-2
0.531
EDJ-MED-c82a5324-1
0.530
DAR-DIA-d8bd013f-4
0.530
DAR-DIA-d8bd013f-2
0.530