Molecule Details
| Molecular Properties | |
| SMILES: | N#CCC(=O)N1Cc2ccc(Cl)cc2C(C(=O)Nc2cncc3ccccc23)C1 |
| MW: | 404.1 |
| Fraction sp3: | 0.18 |
| HBA: | 4 |
| HBD: | 1 |
| Rotatable Bonds: | 3 |
| TPSA: | 86.09 |
| cLogP: | 3.87 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Activity Data | |
| IC50 (µM) - Fluorescence: | 0.203655002440072 |
| Order Status | |
| Ordered: | 2021-03-30 |
| Synthesis Location: | enamine |
| Shipped: | 2021-05-06 |
MAT-POS-4223bc15-35
0.800
MAT-POS-dd3ad2b5-3
0.744
MAT-POS-dd3ad2b5-2
0.744
MAT-POS-4223bc15-19
0.744
RAL-THA-6e4c80cf-1
0.744
PET-UNK-9b23ef84-2
0.744
MAT-POS-4223bc15-18
0.728
MAT-POS-4223bc15-17
0.720
MAT-POS-dd3ad2b5-5
0.720
RAL-THA-6e4c80cf-2
0.716
MAT-POS-4223bc15-20
0.716
PET-UNK-162c14b2-1
0.710
MAT-POS-61f37a1a-12
0.710
MAT-POS-4223bc15-41
0.684
MAT-POS-dd3ad2b5-4
0.670
MAT-POS-24589f88-2
0.670
MAT-POS-24589f88-3
0.670
MAT-POS-4223bc15-36
0.670
BEN-DND-f2e727cd-6
0.667
MAT-POS-dd3ad2b5-1
0.667
MAT-POS-5cd9ea36-24
0.667
MAT-POS-4223bc15-37
0.663
MAT-POS-4223bc15-38
0.663
ALF-EVA-0e90125c-1
0.663
VLA-UNK-5b0345c3-2
0.660
MIC-UNK-482af05e-2
0.660
MAT-POS-4223bc15-40
0.657
EDJ-MED-c40d95bc-2
0.656
MAT-POS-4223bc15-25
0.656
MAT-POS-4223bc15-21
0.656
MAT-POS-5cd9ea36-15
0.653
ALF-EVA-0e90125c-2
0.650
EDJ-MED-e9a22d5d-1
0.649
MAT-POS-4223bc15-6
0.649
MAT-POS-be048f2c-1
0.648
RAL-THA-6e4c80cf-4
0.648
MAT-POS-dc2604c4-4
0.647
EDJ-MED-76744c27-6
0.647
MIC-UNK-482af05e-1
0.646
MAT-POS-4223bc15-39
0.644
MAT-POS-5cd9ea36-18
0.644
RAL-THA-ee48ba5f-5
0.643
MAT-POS-8293a91a-5
0.643
MAT-POS-4223bc15-26
0.643
MAT-POS-4223bc15-27
0.643
MAT-POS-8293a91a-4
0.643
MAT-POS-4223bc15-23
0.643
EDJ-MED-12c4873b-3
0.643
ANN-CHE-e1757302-2
0.641
RAL-THA-ee48ba5f-4
0.636
BRU-THA-d60fe444-1
0.636
MAT-POS-be048f2c-4
0.636
RAL-THA-6e4c80cf-3
0.636
JOH-SUS-07b743f6-6
0.635
MAT-UNK-35705829-1
0.634
MAT-POS-4223bc15-1
0.633
MAT-POS-4223bc15-3
0.633
MAT-POS-be048f2c-3
0.632
MAT-POS-4223bc15-24
0.630
MAT-POS-4223bc15-22
0.630
EDJ-MED-76744c27-5
0.627
MAT-UNK-f490e871-1
0.627
MAT-UNK-04ae9652-1
0.627
PET-UNK-d61f3ea6-2
0.626
MAT-POS-4223bc15-2
0.626
MAT-POS-be048f2c-2
0.626
JOH-SUS-07b743f6-5
0.625
MAT-POS-4223bc15-28
0.624
MAT-POS-4223bc15-5
0.624
MAT-POS-5cd9ea36-17
0.624
EDJ-MED-1981ceba-4
0.621
PET-UNK-d61f3ea6-3
0.621
ALF-EVA-07677224-3
0.621
BRU-THA-98e973b9-1
0.620
MAT-POS-4223bc15-13
0.620
PET-UNK-af70882d-1
0.619
EDJ-MED-76744c27-1
0.619
MAT-POS-bf364d7a-6
0.619
MAT-POS-dc2604c4-1
0.619
MAT-POS-bf364d7a-5
0.619
MAT-POS-5cd9ea36-1
0.619
MAT-POS-e194df51-1
0.619
MAT-POS-e194df51-2
0.619
RAL-THA-ee48ba5f-1
0.618
EDJ-MED-fa7708b3-1
0.618
PET-UNK-d61f3ea6-1
0.618
EDJ-MED-76744c27-3
0.618
MAT-POS-5cd9ea36-21
0.617
CLI-TLC-3a13eaf2-1
0.614
EDJ-MED-1981ceba-2
0.614
BEN-DND-32596b04-7
0.614
RAL-THA-ee48ba5f-3
0.613
RAL-THA-ee48ba5f-2
0.612
PET-UNK-af70882d-4
0.612
MAT-POS-61f37a1a-2
0.612
EDJ-MED-7f6e5b75-1
0.612
MAT-POS-4223bc15-9
0.612
PET-UNK-af70882d-3
0.612
MAT-POS-5cd9ea36-13
0.612
JOH-UNI-ededfdb6-1
0.612