Molecule Details
| Molecular Properties | |
| SMILES: | NC(=O)N1Cc2ccc(Cl)cc2C(C(=O)Nc2cncc3ccccc23)C1 |
| MW: | 380.1 |
| Fraction sp3: | 0.15 |
| HBA: | 3 |
| HBD: | 2 |
| Rotatable Bonds: | 2 |
| TPSA: | 88.32 |
| cLogP: | 3.5 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Activity Data | |
| IC50 (µM) - Fluorescence: | 0.250095010756057 |
| Order Status | |
| Ordered: | 2021-02-28 |
| Synthesis Location: | enamine |
| Shipped: | 2021-03-24 |
MAT-POS-4223bc15-19
0.807
PET-UNK-9b23ef84-2
0.807
RAL-THA-6e4c80cf-1
0.807
MAT-POS-dd3ad2b5-2
0.807
MAT-POS-4223bc15-18
0.788
MAT-POS-4223bc15-17
0.779
MAT-POS-dd3ad2b5-5
0.779
MAT-POS-4223bc15-20
0.773
RAL-THA-6e4c80cf-2
0.773
MAT-POS-4223bc15-35
0.761
MAT-POS-4223bc15-33
0.744
MAT-POS-4223bc15-41
0.736
MAT-POS-4223bc15-25
0.727
BEN-DND-f2e727cd-6
0.721
MAT-POS-dd3ad2b5-1
0.721
MAT-POS-4223bc15-36
0.720
ALF-EVA-0e90125c-1
0.713
MAT-POS-4223bc15-38
0.713
MAT-POS-4223bc15-37
0.713
VLA-UNK-5b0345c3-2
0.708
MAT-POS-4223bc15-40
0.705
MAT-POS-24589f88-2
0.705
MAT-POS-24589f88-3
0.705
MAT-POS-dd3ad2b5-4
0.705
MAT-POS-4223bc15-3
0.700
ALF-EVA-0e90125c-2
0.698
RAL-THA-6e4c80cf-4
0.694
MAT-POS-be048f2c-3
0.694
MIC-UNK-482af05e-2
0.692
MAT-POS-4223bc15-39
0.691
PET-UNK-162c14b2-1
0.689
MAT-POS-4223bc15-21
0.689
EDJ-MED-c40d95bc-2
0.689
MAT-POS-61f37a1a-12
0.689
MAT-POS-4223bc15-13
0.685
RAL-THA-ee48ba5f-4
0.685
EDJ-MED-e9a22d5d-1
0.681
MAT-POS-4223bc15-1
0.681
MAT-POS-4223bc15-6
0.681
RAL-THA-6e4c80cf-3
0.680
MIC-UNK-482af05e-1
0.677
MAT-POS-be048f2c-1
0.677
MAT-POS-4223bc15-2
0.674
MAT-POS-4223bc15-26
0.674
MAT-POS-8293a91a-5
0.674
EDJ-MED-12c4873b-3
0.674
MAT-POS-4223bc15-23
0.674
MAT-POS-4223bc15-27
0.674
PET-UNK-d61f3ea6-2
0.674
MAT-POS-8293a91a-4
0.674
RAL-THA-ee48ba5f-5
0.674
MAT-POS-61f37a1a-2
0.674
MAT-POS-4223bc15-9
0.674
MAT-POS-4223bc15-7
0.670
MAT-POS-4223bc15-15
0.670
MAT-POS-be048f2c-2
0.670
BRU-THA-98e973b9-1
0.667
BRU-THA-d60fe444-1
0.667
MAT-POS-be048f2c-4
0.663
MAT-UNK-35705829-1
0.663
BEN-DND-32596b04-7
0.660
MAT-POS-4223bc15-22
0.660
MAT-POS-4223bc15-24
0.660
EDJ-MED-1981ceba-2
0.660
CLI-TLC-3a13eaf2-1
0.660
DAR-DIA-4987d2cd-1
0.656
MAT-POS-5cd9ea36-19
0.656
DAR-DIA-4987d2cd-2
0.653
MAT-POS-4223bc15-5
0.653
MAT-POS-4223bc15-28
0.653
MAT-POS-5cd9ea36-2
0.653
MAT-POS-5cd9ea36-17
0.653
PET-UNK-9b23ef84-6
0.649
MAT-POS-5cd9ea36-15
0.649
RAL-THA-ee48ba5f-1
0.646
DAR-DIA-d8bd013f-1
0.646
MAT-POS-5cd9ea36-4
0.646
DAR-DIA-d8bd013f-3
0.646
MAT-POS-5cd9ea36-14
0.646
MAT-POS-4223bc15-29
0.646
EDJ-MED-fa7708b3-1
0.646
PET-UNK-d61f3ea6-1
0.646
MAT-POS-5cd9ea36-24
0.646
EDJ-MED-76744c27-3
0.646
EDJ-MED-12c4873b-1
0.646
ALF-EVA-0e90125c-3
0.640
MAT-UNK-04ae9652-1
0.639
RAL-THA-ee48ba5f-2
0.639
MAT-UNK-f490e871-1
0.639
EDJ-MED-76744c27-5
0.639
PET-UNK-af70882d-3
0.639
MAT-POS-4223bc15-32
0.639
PET-UNK-af70882d-4
0.639
MAT-POS-5cd9ea36-3
0.639
MAT-POS-5cd9ea36-13
0.639
MAT-POS-5cd9ea36-20
0.639
EDJ-MED-7f6e5b75-1
0.639
JOH-UNI-ededfdb6-1
0.639
MAT-POS-4223bc15-10
0.636
MAT-POS-4223bc15-30
0.636