Molecule Details
| Molecular Properties | |
| SMILES: | CCOC(=O)N1Cc2ccc(Cl)cc2C(C(=O)Nc2cncc3ccccc23)C1 |
| MW: | 409.12 |
| Fraction sp3: | 0.23 |
| HBA: | 4 |
| HBD: | 1 |
| Rotatable Bonds: | 3 |
| TPSA: | 71.53 |
| cLogP: | 4.58 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Activity Data | |
| IC50 (µM) - Fluorescence: | 0.236473466957296 |
| Order Status | |
| Ordered: | 2021-03-30 |
| Synthesis Location: | enamine |
| Shipped: | 2021-04-28 |
carbamate include di-substitued N
MAT-POS-dd3ad2b5-4
MAT-POS-4223bc15-20
1.000
MAT-POS-4223bc15-19
0.857
RAL-THA-6e4c80cf-1
0.857
VLA-UNK-5b0345c3-2
0.789
RAL-THA-6e4c80cf-3
0.776
RAL-THA-6e4c80cf-4
0.773
MAT-POS-dd3ad2b5-3
0.773
PET-UNK-9b23ef84-2
0.773
MAT-POS-dd3ad2b5-2
0.773
MAT-POS-4223bc15-18
0.756
MAT-POS-dd3ad2b5-5
0.747
MAT-POS-4223bc15-35
0.731
MAT-POS-4223bc15-17
0.728
MAT-POS-4223bc15-33
0.716
MAT-POS-4223bc15-41
0.708
RAL-THA-ee48ba5f-5
0.702
MAT-POS-dd3ad2b5-1
0.692
BEN-DND-f2e727cd-6
0.692
MAT-POS-4223bc15-6
0.691
MAT-POS-be048f2c-4
0.689
MAT-POS-4223bc15-37
0.687
MAT-POS-be048f2c-1
0.686
MAT-POS-4223bc15-23
0.684
MAT-POS-8293a91a-5
0.684
MAT-POS-8293a91a-4
0.684
MAT-POS-4223bc15-39
0.683
EDJ-MED-c40d95bc-2
0.681
MAT-POS-4223bc15-25
0.681
MAT-POS-4223bc15-21
0.681
MAT-POS-4223bc15-40
0.680
MAT-POS-24589f88-2
0.677
MAT-POS-dd3ad2b5-4
0.677
MAT-POS-24589f88-3
0.677
MAT-POS-4223bc15-36
0.677
EDJ-MED-e9a22d5d-1
0.674
ALF-EVA-0e90125c-2
0.673
MIC-UNK-482af05e-1
0.670
MAT-POS-4223bc15-22
0.670
MAT-POS-4223bc15-24
0.670
ALF-EVA-0e90125c-1
0.670
MAT-POS-4223bc15-38
0.670
MIC-UNK-482af05e-2
0.667
MAT-POS-4223bc15-27
0.667
JOH-UNI-ededfdb6-1
0.667
MAT-POS-4223bc15-28
0.663
MAT-POS-5cd9ea36-17
0.663
PET-UNK-162c14b2-1
0.663
MAT-POS-61f37a1a-12
0.663
MAT-POS-5cd9ea36-16
0.660
MAT-POS-5cd9ea36-15
0.660
RAL-THA-ee48ba5f-4
0.660
RAL-THA-ee48ba5f-1
0.657
MAT-UNK-35705829-1
0.657
EDJ-MED-fa7708b3-1
0.657
MAT-POS-4223bc15-1
0.656
PET-UNK-af70882d-4
0.650
MAT-POS-4223bc15-26
0.649
MAT-POS-4223bc15-2
0.649
EDJ-MED-12c4873b-3
0.649
PET-UNK-d61f3ea6-2
0.649
MAT-POS-be048f2c-2
0.648
BRU-THA-d60fe444-1
0.643
MAT-POS-5cd9ea36-24
0.640
DAR-DIA-d8bd013f-1
0.640
DAR-DIA-d8bd013f-3
0.640
MAT-POS-5cd9ea36-14
0.640
MAT-POS-4223bc15-3
0.639
MAT-POS-be048f2c-3
0.638
CLI-TLC-3a13eaf2-1
0.636
EDJ-MED-76744c27-5
0.634
EDJ-MED-7f6e5b75-1
0.634
MAT-UNK-04ae9652-1
0.634
PET-UNK-af70882d-3
0.634
MAT-UNK-f490e871-1
0.634
RAL-THA-ee48ba5f-2
0.634
MAT-POS-5cd9ea36-13
0.634
DAR-DIA-4987d2cd-1
0.634
EDJ-MED-c82a5324-3
0.631
ANN-CHE-e1757302-2
0.631
PET-UNK-5ba9a1cb-3
0.631
MAT-POS-4223bc15-4
0.631
MAT-POS-4223bc15-5
0.630
EDJ-MED-c82a5324-1
0.627
PET-UNK-d61f3ea6-3
0.627
DAR-DIA-d8bd013f-2
0.627
DAR-DIA-d8bd013f-4
0.627
VLA-UNK-5b0345c3-1
0.627
MAT-POS-4223bc15-13
0.626
BRU-THA-98e973b9-1
0.626
PET-UNK-af70882d-1
0.625
MAT-POS-bf364d7a-5
0.625
MAT-POS-5cd9ea36-1
0.625
EDJ-MED-76744c27-1
0.625
NIR-WEI-dcc3321b-6
0.625
MAT-POS-bf364d7a-6
0.625
MAT-POS-4223bc15-29
0.624
EDJ-MED-76744c27-3
0.624
MAT-POS-5cd9ea36-4
0.624
EDJ-MED-12c4873b-1
0.624
EDJ-MED-1981ceba-3
0.621