Molecule Details
| Molecular Properties | |
| SMILES: | Cc1nocc1C(=O)N1Cc2ccc(Cl)cc2C(C(=O)Nc2cncc3ccccc23)C1 |
| MW: | 446.11 |
| Fraction sp3: | 0.17 |
| HBA: | 5 |
| HBD: | 1 |
| Rotatable Bonds: | 3 |
| TPSA: | 88.33 |
| cLogP: | 4.56 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Activity Data | |
| IC50 (µM) - Fluorescence: | 0.167685166842976 |
| Order Status | |
| Ordered: | 2021-03-30 |
| Synthesis Location: | enamine |
| Shipped: | 2021-04-28 |
MAT-POS-dd3ad2b5-2
0.708
MAT-POS-4223bc15-19
0.708
RAL-THA-6e4c80cf-1
0.708
PET-UNK-9b23ef84-2
0.708
MAT-POS-4223bc15-41
0.703
MAT-POS-4223bc15-18
0.694
MAT-POS-4223bc15-40
0.692
MAT-POS-dd3ad2b5-3
0.691
MAT-POS-4223bc15-36
0.689
MAT-POS-dd3ad2b5-5
0.687
MAT-POS-4223bc15-20
0.683
RAL-THA-6e4c80cf-2
0.683
MAT-POS-4223bc15-38
0.683
MAT-POS-4223bc15-37
0.683
MAT-POS-4223bc15-17
0.670
MAT-POS-be048f2c-1
0.667
MAT-POS-be048f2c-2
0.661
MAT-POS-4223bc15-35
0.657
MAT-POS-be048f2c-4
0.655
MAT-POS-be048f2c-3
0.651
MAT-POS-4223bc15-33
0.644
MAT-POS-dd3ad2b5-1
0.636
BEN-DND-f2e727cd-6
0.636
ALF-EVA-0e90125c-1
0.636
ALF-EVA-0e90125c-9
0.630
EDJ-MED-c40d95bc-2
0.627
MAT-POS-4223bc15-21
0.627
MAT-POS-4223bc15-25
0.627
ALF-EVA-0e90125c-2
0.624
MAT-POS-24589f88-2
0.624
MAT-POS-dd3ad2b5-4
0.624
MAT-POS-24589f88-3
0.624
MAT-POS-4223bc15-22
0.619
MAT-POS-4223bc15-23
0.615
MIC-UNK-482af05e-2
0.615
MAT-POS-8293a91a-5
0.615
RAL-THA-ee48ba5f-5
0.615
MAT-POS-4223bc15-2
0.615
MAT-POS-4223bc15-27
0.615
PET-UNK-d61f3ea6-2
0.615
MAT-POS-8293a91a-4
0.615
VLA-UNK-5b0345c3-1
0.612
PET-UNK-162c14b2-1
0.612
MAT-POS-61f37a1a-12
0.612
MAT-UNK-35705829-1
0.607
EDJ-MED-e9a22d5d-1
0.606
MAT-POS-4223bc15-6
0.606
MAT-POS-4223bc15-1
0.606
MAT-POS-4223bc15-3
0.606
MIC-UNK-482af05e-1
0.604
MAT-POS-4223bc15-24
0.604
CLI-TLC-3a13eaf2-1
0.604
VLA-UNK-5b0345c3-2
0.604
MAT-UNK-f490e871-1
0.602
EDJ-MED-12c4873b-3
0.600
MAT-POS-4223bc15-26
0.600
MAT-POS-4223bc15-28
0.598
MAT-POS-4223bc15-7
0.598
RAL-THA-6e4c80cf-3
0.596
PET-UNK-9b23ef84-14
0.596
MAT-POS-4223bc15-13
0.594
RAL-THA-ee48ba5f-4
0.594
RAL-THA-6e4c80cf-4
0.593
RAL-THA-ee48ba5f-1
0.593
EDJ-MED-fa7708b3-1
0.593
MAT-POS-5cd9ea36-19
0.587
MAT-POS-5cd9ea36-20
0.587
JOH-UNI-ededfdb6-1
0.587
RAL-THA-ee48ba5f-2
0.587
MAT-UNK-04ae9652-1
0.587
MAT-POS-5cd9ea36-17
0.583
MAT-POS-4223bc15-15
0.583
MAT-POS-5cd9ea36-16
0.582
PET-UNK-d61f3ea6-3
0.582
DAR-DIA-d8bd013f-2
0.582
DAR-DIA-d8bd013f-4
0.582
EDJ-MED-c82a5324-1
0.582
MAT-POS-5cd9ea36-15
0.582
ALF-EVA-07677224-4
0.580
BRU-THA-d60fe444-1
0.579
BRU-THA-98e973b9-1
0.579
MAT-POS-5cd9ea36-4
0.578
MAT-POS-5cd9ea36-14
0.578
EDJ-MED-12c4873b-1
0.578
MAT-POS-4223bc15-29
0.578
DAR-DIA-d8bd013f-1
0.578
DAR-DIA-d8bd013f-3
0.578
PET-UNK-de87a406-1
0.577
CLI-TLC-36f34aa2-1
0.577
ALF-EVA-0e90125c-3
0.575
EDJ-MED-fa7708b3-3
0.575
EDJ-MED-1981ceba-2
0.574
BEN-DND-32596b04-7
0.574
PET-UNK-af70882d-3
0.573
EDJ-MED-7f6e5b75-1
0.573
MAT-POS-5cd9ea36-13
0.573
PET-UNK-af70882d-4
0.573
EDJ-MED-76744c27-5
0.573
MAT-POS-4223bc15-9
0.573
MAT-POS-61f37a1a-2
0.573