Molecular Properties | |
SMILES: | CNC(=O)CN1Cc2ccc(Cl)cc2C(C(=O)Nc2cncc3cc(COC)ccc23)C1 |
MW: | 452.16 |
Fraction sp3: | 0.29 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 83.56 |
cLogP: | 3.32 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 0.119373310431026 |
Order Status | |
Ordered: | 2021-08-25 |
Synthesis Location: | enamine |
Shipped: | 2021-10-28 |
EDJ-MED-7889e8da-3
0.789
EDJ-MED-0186a59b-2
0.789
EDJ-MED-4f4dd660-3
0.786
EDJ-MED-4f4dd660-1
0.784
EDJ-MED-4f4dd660-5
0.762
ALP-POS-6f6ae286-5
0.750
EDJ-MED-0186a59b-1
0.750
EDJ-MED-7889e8da-1
0.750
BEN-DND-f06bfa8e-2
0.750
EDJ-MED-7889e8da-5
0.745
EDJ-MED-0186a59b-3
0.745
MAT-POS-4223bc15-23
0.724
MAT-POS-8293a91a-4
0.724
MAT-POS-8293a91a-5
0.724
MAT-POS-b4d6b7fc-1
0.708
MAT-POS-b4d6b7fc-3
0.694
PET-UNK-c6bcc80b-9
0.661
PET-UNK-c6bcc80b-2
0.661
MIC-UNK-51049f1a-4
0.642
EDJ-MED-ede277f6-4
0.636
EDJ-MED-ede277f6-6
0.634
MAT-POS-97ec4bd1-3
0.633
MAT-POS-4223bc15-22
0.629
MAT-POS-2e8b2191-10
0.622
MAT-POS-5cd9ea36-15
0.620
EDJ-MED-ede277f6-8
0.619
EDJ-MED-ede277f6-7
0.613
EDJ-MED-0186a59b-4
0.611
JOH-UNI-ededfdb6-1
0.611
EDJ-MED-c40d95bc-2
0.606
MAT-POS-4223bc15-21
0.606
MAT-POS-4223bc15-25
0.606
MAT-POS-13080fc6-5
0.598
MAT-POS-4223bc15-24
0.598
MAT-POS-5cd9ea36-13
0.596
EDJ-MED-c82a5324-3
0.595
EDJ-MED-c82a5324-2
0.595
MAT-POS-13080fc6-6
0.593
NIR-WEI-dcc3321b-6
0.589
JOH-UNI-ededfdb6-9
0.587
MIC-UNK-51049f1a-3
0.584
MAT-POS-4223bc15-28
0.578
EDJ-MED-c40d95bc-1
0.574
JOH-UNI-ededfdb6-4
0.569
MAT-UNK-f490e871-1
0.568
RAL-THA-ee48ba5f-5
0.565
NIR-WEI-dcc3321b-5
0.562
EDJ-MED-fa7708b3-1
0.559
RAL-THA-ee48ba5f-1
0.559
MAT-POS-4223bc15-19
0.557
RAL-THA-6e4c80cf-1
0.557
EDJ-MED-e9a22d5d-1
0.556
RAL-THA-ee48ba5f-2
0.554
MAT-POS-4223bc15-27
0.550
MIC-UNK-482af05e-2
0.550
JOH-UNI-ededfdb6-6
0.549
PET-UNK-162c14b2-1
0.546
MAT-POS-61f37a1a-12
0.546
RAL-THA-ee48ba5f-4
0.545
MAT-UNK-35705829-1
0.545
MIC-UNK-482af05e-1
0.541
MAT-UNK-04ae9652-1
0.540
PET-UNK-af70882d-4
0.540
MAT-POS-4223bc15-26
0.536
EDJ-MED-12c4873b-3
0.536
NIR-WEI-dcc3321b-1
0.532
CLI-TLC-36f34aa2-1
0.530
EDJ-MED-4f4dd660-4
0.528
NIR-WEI-dcc3321b-4
0.528
MAT-POS-dd3ad2b5-5
0.527
MAT-POS-4223bc15-20
0.527
RAL-THA-6e4c80cf-2
0.527
EDJ-MED-009f762b-5
0.526
MAT-POS-4223bc15-4
0.526
EDJ-MED-378a25ea-23
0.525
EDJ-MED-4f4dd660-2
0.525
JOH-UNI-ededfdb6-2
0.522
EDJ-MED-4f4dd660-6
0.520
RAL-THA-ee48ba5f-6
0.517
RAL-THA-ee48ba5f-3
0.517
EDJ-MED-ede277f6-5
0.517
NIR-WEI-dcc3321b-2
0.516
MAT-POS-dd3ad2b5-3
0.514
MAT-POS-dd3ad2b5-2
0.514
PET-UNK-9b23ef84-2
0.514
MAT-POS-4223bc15-6
0.514
PET-UNK-5ba9a1cb-2
0.513
BEN-DND-f2e727cd-6
0.509
MAT-POS-dd3ad2b5-1
0.509
EDJ-MED-fb79a796-1
0.509
PET-UNK-03fd2068-4
0.509
PET-UNK-af70882d-2
0.509
EDJ-MED-fa7708b3-2
0.508
EDJ-MED-be9e6f63-1
0.508
EDJ-MED-378a25ea-33
0.508
NIR-WEI-dcc3321b-3
0.508
MAT-POS-4223bc15-18
0.505
BRU-THA-d60fe444-1
0.504
EDJ-MED-12c4873b-1
0.504
VLA-UNK-5b0345c3-2
0.504