Molecule Details
| Molecular Properties | |
| SMILES: | N#CCC(=O)N1CCc2ccc(Cl)cc2C1C(=O)Nc1cncc2ccccc12 |
| 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: | 6.50699321574463 |
| Order Status | |
| Ordered: | 2021-09-06 |
| Synthesis Location: | enamine |
| Shipped: | 2021-11-17 |
EDJ-MED-b774e9fe-1
0.742
EDJ-MED-2791eece-2
0.742
EDJ-MED-036ae2e9-1
0.733
EDJ-MED-2791eece-12
0.725
EDJ-MED-036ae2e9-2
0.717
EDJ-MED-2791eece-1
0.691
EDJ-MED-036ae2e9-7
0.680
EDJ-MED-036ae2e9-4
0.667
EDJ-MED-036ae2e9-8
0.653
EDJ-MED-487c5e9f-4
0.653
MAT-POS-fb82b63d-3
0.645
EDJ-MED-036ae2e9-12
0.631
EDJ-MED-2791eece-6
0.625
EDJ-MED-b774e9fe-2
0.625
EDJ-MED-036ae2e9-5
0.625
EDJ-MED-b774e9fe-3
0.622
MAT-POS-fb82b63d-4
0.622
EDJ-MED-2791eece-8
0.622
EDJ-MED-2791eece-10
0.622
EDJ-MED-036ae2e9-3
0.622
EDJ-MED-487c5e9f-2
0.619
EDJ-MED-2791eece-5
0.610
EDJ-MED-036ae2e9-9
0.604
EDJ-MED-036ae2e9-10
0.604
EDJ-MED-2791eece-11
0.600
EDJ-MED-487c5e9f-6
0.600
EDJ-MED-2791eece-3
0.598
EDJ-MED-2791eece-7
0.598
EDJ-MED-036ae2e9-6
0.592
EDJ-MED-487c5e9f-9
0.588
EDJ-MED-487c5e9f-12
0.586
EDJ-MED-2791eece-9
0.585
EDJ-MED-487c5e9f-1
0.585
EDJ-MED-487c5e9f-3
0.583
EDJ-MED-487c5e9f-7
0.581
EDJ-MED-487c5e9f-10
0.581
EDJ-MED-036ae2e9-11
0.575
EDJ-MED-487c5e9f-5
0.570
MAT-POS-4223bc15-33
0.567
ALP-POS-d054b76b-2
0.566
EDJ-MED-487c5e9f-11
0.561
EDJ-MED-487c5e9f-8
0.556
PET-UNK-162c14b2-1
0.549
MAT-POS-61f37a1a-12
0.549
MAT-POS-fb82b63d-1
0.541
DAR-DIA-4987d2cd-4
0.538
ALP-POS-d054b76b-4
0.537
DAR-DIA-4987d2cd-3
0.533
MAT-POS-5cd9ea36-24
0.533
MIC-UNK-91acba05-4
0.525
ALP-POS-477dc5b7-1
0.525
MAT-POS-d8472c4f-5
0.510
MAT-POS-3ccb8ef6-2
0.510
MAT-POS-3ccb8ef6-1
0.510
BEN-DND-f2e727cd-5
0.510
JOH-SUS-07b743f6-6
0.509
RAL-THA-4aa06b95-2
0.505
PET-UNK-d61f3ea6-1
0.505
MAT-POS-dc2604c4-4
0.505
EDJ-MED-76744c27-6
0.505
MAT-POS-5cd9ea36-18
0.504
MAT-POS-dd3ad2b5-4
0.500
MAT-POS-24589f88-2
0.500
EDJ-MED-e9a22d5d-1
0.500
MAT-POS-4223bc15-6
0.500
JOH-SUS-07b743f6-3
0.500
MAT-POS-24589f88-3
0.500
MAT-POS-5cd9ea36-21
0.496
MAT-POS-dc2604c4-1
0.496
MAT-POS-e194df51-1
0.496
MAT-POS-e194df51-2
0.496
MAT-POS-5cd9ea36-15
0.495
MAT-POS-4223bc15-26
0.495
MAT-POS-4223bc15-27
0.495
MIC-UNK-482af05e-2
0.495
RAL-THA-ee48ba5f-5
0.495
ALP-POS-fe871b40-13
0.495
MAT-POS-dd3ad2b5-1
0.495
BEN-DND-f2e727cd-6
0.495
ALP-UNI-c3ef0aba-2
0.495
BEN-DND-f2e727cd-4
0.495
ALP-POS-07e1ed01-1
0.491
MAT-POS-777f5926-4
0.491
MAT-POS-777f5926-3
0.491
MAT-POS-dc2604c4-3
0.491
RAL-THA-ee48ba5f-6
0.491
MAT-POS-4223bc15-35
0.491
RAL-THA-ee48ba5f-4
0.491
BRU-THA-d60fe444-1
0.491
MAT-POS-4223bc15-21
0.491
PET-UNK-4d432d33-6
0.491
PET-UNK-4d432d33-2
0.491
EDJ-MED-c40d95bc-2
0.491
MAT-POS-4223bc15-25
0.491
MAT-POS-4223bc15-24
0.486
BEN-DND-32596b04-7
0.486
PET-UNK-5ad1c31a-7
0.486
PET-UNK-5ad1c31a-1
0.486
EDJ-MED-1981ceba-2
0.486
MAT-POS-4223bc15-3
0.486