Molecular Properties | |
SMILES: | CNC(=O)CN1Cc2ccc(Cl)cc2C(C(=O)Nc2cncc3cc(F)ccc23)C1 |
MW: | 426.13 |
Fraction sp3: | 0.23 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 74.33 |
cLogP: | 3.31 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 0.257247695495253 |
Order Status | |
Ordered: | 2021-08-07 |
Synthesis Location: | enamine |
Shipped: | 2021-09-12 |
BEN-DND-f06bfa8e-2
1.000
ALP-POS-6f6ae286-5
1.000
EDJ-MED-0186a59b-1
1.000
EDJ-MED-7889e8da-3
0.833
EDJ-MED-0186a59b-2
0.833
EDJ-MED-ede277f6-4
0.823
EDJ-MED-ede277f6-7
0.812
MAT-POS-4223bc15-23
0.783
MAT-POS-8293a91a-4
0.783
MAT-POS-8293a91a-5
0.783
EDJ-MED-7889e8da-5
0.765
EDJ-MED-0186a59b-3
0.765
ALP-POS-1460fd94-1
0.750
MAT-POS-b4d6b7fc-1
0.743
EDJ-MED-4f4dd660-1
0.735
MAT-POS-b4d6b7fc-3
0.728
EDJ-MED-4f4dd660-3
0.721
EDJ-MED-4f4dd660-5
0.714
PET-UNK-c6bcc80b-9
0.709
PET-UNK-c6bcc80b-2
0.709
PET-UNK-03fd2068-4
0.691
MAT-POS-97ec4bd1-3
0.663
JOH-UNI-ededfdb6-1
0.657
PET-UNK-ff046148-4
0.654
EDJ-MED-c40d95bc-2
0.653
MAT-POS-4223bc15-25
0.653
MAT-POS-4223bc15-21
0.653
MAT-POS-2e8b2191-10
0.651
MAT-POS-5cd9ea36-15
0.650
EDJ-MED-7889e8da-2
0.645
EDJ-MED-be9e6f63-2
0.645
MAT-POS-4223bc15-24
0.644
MAT-POS-4223bc15-22
0.644
MAT-POS-5cd9ea36-13
0.641
MIC-UNK-51049f1a-4
0.641
EDJ-MED-c82a5324-2
0.638
EDJ-MED-c82a5324-3
0.638
EDJ-MED-ede277f6-6
0.633
EDJ-MED-ede277f6-8
0.633
NIR-WEI-dcc3321b-6
0.632
PET-UNK-ff046148-2
0.632
PET-UNK-ff046148-3
0.630
ALP-POS-6f6ae286-4
0.627
EDJ-MED-0186a59b-4
0.625
EDJ-MED-009f762b-5
0.625
EDJ-MED-0186a59b-5
0.619
MAT-POS-e119ab4f-1
0.619
MAT-POS-c7726e07-1
0.619
MAT-POS-c7726e07-2
0.619
EDJ-MED-ede277f6-1
0.613
EDJ-MED-ede277f6-10
0.613
ALP-POS-6f6ae286-6
0.611
BEN-DND-f06bfa8e-3
0.611
MIC-UNK-51049f1a-3
0.611
MIC-UNK-482af05e-2
0.608
EDJ-MED-fa7708b3-1
0.600
RAL-THA-ee48ba5f-1
0.600
EDJ-MED-e9a22d5d-1
0.598
MAT-POS-13080fc6-5
0.596
JOH-UNI-ededfdb6-4
0.596
MAT-UNK-f490e871-1
0.594
MAT-UNK-04ae9652-1
0.594
MAT-POS-4223bc15-26
0.592
RAL-THA-ee48ba5f-5
0.592
MAT-POS-4223bc15-27
0.592
MAT-POS-13080fc6-6
0.591
MAT-POS-61f37a1a-12
0.588
PET-UNK-162c14b2-1
0.588
JOH-UNI-ededfdb6-9
0.585
MAT-UNK-35705829-1
0.585
CLI-TLC-36f34aa2-1
0.583
MIC-UNK-482af05e-1
0.581
RAL-THA-ee48ba5f-2
0.579
PET-UNK-5ba9a1cb-3
0.578
MAT-POS-4223bc15-28
0.575
NIR-WEI-dcc3321b-5
0.573
RAL-THA-ee48ba5f-4
0.571
EDJ-MED-c40d95bc-1
0.571
PET-UNK-162c14b2-2
0.571
NIR-WEI-dcc3321b-1
0.568
PET-UNK-c671f938-1
0.566
PET-UNK-c671f938-5
0.566
PET-UNK-1e13ef09-1
0.563
NIR-WEI-dcc3321b-4
0.563
NIR-WEI-dcc3321b-2
0.562
EDJ-MED-12c4873b-3
0.562
NIR-WEI-dcc3321b-3
0.554
RAL-THA-6e4c80cf-1
0.553
MAT-POS-4223bc15-19
0.553
MAT-POS-dd3ad2b5-5
0.552
MAT-POS-4223bc15-6
0.552
CLI-TLC-3a13eaf2-1
0.551
PET-UNK-5ba9a1cb-2
0.550
MAT-POS-dd3ad2b5-1
0.549
BEN-DND-f2e727cd-6
0.549
JOH-UNI-ededfdb6-2
0.546
PET-UNK-5ba9a1cb-1
0.545
EDJ-MED-e69ed63d-7
0.545
EDJ-MED-e69ed63d-11
0.545
BRU-THA-d60fe444-1
0.542