Molecule Details
| Molecular Properties | |
| SMILES: | Cn1nncc1C(=O)N1Cc2ccc(Cl)cc2C(C(=O)Nc2cncc3ccccc23)C1 |
| MW: | 446.13 |
| Fraction sp3: | 0.17 |
| HBA: | 6 |
| HBD: | 1 |
| Rotatable Bonds: | 3 |
| TPSA: | 93.01 |
| cLogP: | 3.4 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Activity Data | |
| IC50 (µM) - Fluorescence: | 0.397156472415711 |
| Order Status | |
| Ordered: | 2021-03-30 |
| Synthesis Location: | enamine |
| Shipped: | 2021-04-28 |
MAT-POS-4223bc15-41
0.798
MAT-POS-4223bc15-40
0.784
MAT-POS-4223bc15-19
0.731
PET-UNK-9b23ef84-2
0.731
MAT-POS-dd3ad2b5-2
0.731
RAL-THA-6e4c80cf-1
0.731
MAT-POS-dd3ad2b5-5
0.726
MAT-POS-be048f2c-4
0.721
MAT-POS-be048f2c-1
0.718
MAT-POS-4223bc15-18
0.716
MAT-POS-dd3ad2b5-3
0.713
MAT-POS-be048f2c-2
0.712
MAT-POS-be048f2c-3
0.702
MAT-POS-4223bc15-36
0.693
MAT-POS-4223bc15-17
0.691
MAT-POS-4223bc15-20
0.687
RAL-THA-6e4c80cf-2
0.687
MAT-POS-4223bc15-38
0.686
MAT-POS-4223bc15-39
0.683
MAT-POS-4223bc15-35
0.677
MAT-POS-dd3ad2b5-1
0.674
BEN-DND-f2e727cd-6
0.674
ALF-EVA-0e90125c-1
0.670
MAT-POS-4223bc15-33
0.663
VLA-UNK-5b0345c3-1
0.658
ALF-EVA-0e90125c-2
0.657
EDJ-MED-c40d95bc-2
0.646
MAT-POS-4223bc15-21
0.646
MAT-POS-dd3ad2b5-4
0.643
MAT-POS-24589f88-2
0.643
MAT-POS-24589f88-3
0.643
MAT-POS-5cd9ea36-4
0.641
MAT-POS-4223bc15-1
0.640
CLI-TLC-3a13eaf2-1
0.637
MIC-UNK-482af05e-1
0.637
RAL-THA-ee48ba5f-5
0.634
MIC-UNK-482af05e-2
0.634
MAT-POS-4223bc15-27
0.634
MAT-POS-8293a91a-4
0.634
MAT-POS-8293a91a-5
0.634
MAT-POS-4223bc15-23
0.634
MAT-POS-4223bc15-28
0.631
MAT-POS-4223bc15-25
0.630
MAT-POS-61f37a1a-12
0.630
PET-UNK-162c14b2-1
0.630
RAL-THA-ee48ba5f-4
0.627
MAT-UNK-35705829-1
0.625
RAL-THA-6e4c80cf-4
0.624
EDJ-MED-e9a22d5d-1
0.624
MAT-POS-4223bc15-3
0.624
MAT-POS-4223bc15-6
0.624
MAT-POS-4223bc15-22
0.621
MAT-POS-4223bc15-24
0.621
VLA-UNK-5b0345c3-2
0.620
MAT-UNK-04ae9652-1
0.619
MAT-UNK-f490e871-1
0.619
EDJ-MED-12c4873b-3
0.618
MAT-POS-4223bc15-26
0.618
MAT-POS-4223bc15-2
0.618
PET-UNK-d61f3ea6-2
0.618
MAT-POS-5cd9ea36-17
0.615
RAL-THA-952697e1-2
0.613
EDJ-MED-12c4873b-7
0.613
RAL-THA-952697e1-1
0.613
MAT-POS-4223bc15-13
0.612
XIA-UNK-50bd045a-1
0.611
MAT-POS-4223bc15-29
0.610
RAL-THA-ee48ba5f-1
0.610
EDJ-MED-fa7708b3-1
0.610
JOH-UNI-ededfdb6-1
0.604
RAL-THA-ee48ba5f-2
0.604
MAT-POS-bf364d7a-7
0.600
MAT-POS-bf364d7a-8
0.600
MAT-POS-4223bc15-7
0.600
MAT-POS-4223bc15-15
0.600
MAT-POS-5cd9ea36-2
0.600
ALF-EVA-07677224-7
0.600
EDJ-MED-76744c27-4
0.600
RAL-THA-6e4c80cf-3
0.598
MAT-POS-4223bc15-34
0.598
MAT-POS-5cd9ea36-15
0.598
BRU-THA-d60fe444-1
0.596
BRU-THA-98e973b9-1
0.596
DAR-DIA-d8bd013f-3
0.594
EDJ-MED-12c4873b-1
0.594
DAR-DIA-d8bd013f-1
0.594
MAT-POS-5cd9ea36-24
0.594
MAT-POS-5cd9ea36-14
0.594
BEN-DND-32596b04-2
0.593
CLI-TLC-36f34aa2-1
0.593
EDJ-MED-1981ceba-5
0.593
MAT-POS-4223bc15-31
0.591
BEN-DND-32596b04-7
0.590
EDJ-MED-1981ceba-2
0.590
PET-UNK-af70882d-4
0.589
EDJ-MED-7f6e5b75-1
0.589
MAT-POS-4223bc15-32
0.589
MAT-POS-5cd9ea36-3
0.589
DAR-DIA-4987d2cd-1
0.589
MAT-POS-4223bc15-9
0.589