Molecular Properties | |
SMILES: | O=C1N(c2cncc3ccccc23)CCC[C@]12CCOc1ccc(Cl)cc12 |
MW: | 378.11 |
Fraction sp3: | 0.27 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 1 |
TPSA: | 42.43 |
cLogP: | 4.74 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 99.5 |
Order Status | |
Shipped: | 2021-11-17 |
MAT-POS-e20a5dfb-2
1.000
ALP-POS-477dc5b7-5
1.000
ALP-POS-e0fe77e5-7
1.000
ALP-POS-477dc5b7-4
0.833
MAT-POS-983b399a-1
0.833
EDJ-MED-159244ea-1
0.833
VLA-UNK-c65c1026-1
0.742
ALP-POS-e0fe77e5-8
0.736
ALP-POS-e0fe77e5-4
0.733
JAG-UCB-f37eaa14-3
0.652
VLA-UCB-50c39ae8-3
0.629
VLA-UCB-05e51b3f-6
0.629
ALP-POS-e0fe77e5-13
0.612
BEN-BAS-c2bc0d80-3
0.608
ALP-POS-e0fe77e5-9
0.604
VLA-UCB-50c39ae8-2
0.598
MAT-POS-94643566-1
0.598
VLA-UCB-05e51b3f-5
0.598
BEN-BAS-c2bc0d80-6
0.598
VLA-UCB-34f3ed0c-12
0.596
DAR-DIA-0f7b7cd9-9
0.588
EDJ-MED-159244ea-3
0.577
MAT-POS-983b399a-3
0.577
DAR-DIA-6be260fc-6
0.576
PET-UNK-aa57768f-11
0.562
PET-UNK-aa57768f-5
0.562
ALP-POS-e0fe77e5-10
0.556
PET-UNK-aa57768f-4
0.555
PET-UNK-aa57768f-10
0.555
EDJ-MED-7587a9ee-2
0.553
PET-UNK-aa57768f-6
0.547
PET-UNK-aa57768f-12
0.547
ALP-POS-e0fe77e5-5
0.539
PET-UNK-14142a25-2
0.537
PET-UNK-14142a25-11
0.537
ALP-POS-133e7cd9-1
0.533
VLA-UCB-34f3ed0c-11
0.530
VLA-UNK-cf7facf1-1
0.530
VLA-UCB-29506327-1
0.530
LUO-POS-e1dab717-13
0.527
BRU-THA-73c97d88-1
0.525
ALP-POS-41e2080f-1
0.525
EDJ-MED-94fddcec-4
0.525
EDJ-MED-d4864bdc-3
0.525
ALP-POS-133e7cd9-2
0.522
EDJ-MED-159244ea-2
0.520
MAT-POS-983b399a-2
0.520
DAR-DIA-6be260fc-5
0.520
DAR-DIA-0f7b7cd9-8
0.520
PET-UNK-14142a25-3
0.513
PET-UNK-14142a25-12
0.513
LUO-POS-e1dab717-14
0.513
MAT-POS-ec6d90b7-1
0.510
MAT-POS-ec6d90b7-2
0.510
MAT-POS-90505e2b-1
0.510
BEN-BAS-c2bc0d80-7
0.510
JAG-UCB-f37eaa14-1
0.505
VLA-UNK-ba665ac8-1
0.505
PET-UNK-7e9559de-5
0.500
MAT-POS-a9372f04-1
0.500
PET-UNK-7e9559de-2
0.500
VLA-UNK-3bd6fc51-1
0.491
NIR-THE-1e03c142-1
0.490
VLA-UNK-c65c1026-2
0.490
EDJ-MED-96f6b92c-1
0.490
DAR-DIA-6be260fc-1
0.485
JAG-UCB-f37eaa14-2
0.485
PET-UNK-37c7074c-2
0.482
PET-UNK-37c7074c-4
0.482
PET-UNK-aa57768f-8
0.481
PET-UNK-aa57768f-2
0.481
VLA-UNK-ba665ac8-2
0.481
PET-UNK-aa57768f-7
0.478
PET-UNK-aa57768f-1
0.478
ALP-POS-4483ae88-1
0.477
EDJ-MED-f9b78f78-4
0.477
VLA-UNK-c65c1026-6
0.476
JAG-UCB-f37eaa14-5
0.473
JAG-UCB-f37eaa14-9
0.472
EDJ-MED-0d144977-3
0.470
EDJ-MED-cc48ee33-7
0.470
JAG-UCB-f37eaa14-4
0.469
PET-UNK-aa57768f-9
0.468
ALP-POS-ecbed2ba-20
0.468
PET-UNK-aa57768f-3
0.468
LUO-POS-e1dab717-19
0.468
ALP-UNI-dbb9503d-2
0.466
VLA-UNK-70dd90ef-4
0.466
VLA-UNK-83c3754c-1
0.466
VLA-UNK-f702bf1c-7
0.466
VLA-UCB-34f3ed0c-15
0.466
EDJ-MED-0d144977-2
0.465
JAG-UCB-f37eaa14-6
0.464
EDJ-MED-7587a9ee-3
0.463
VLA-UNK-f702bf1c-2
0.462
VLA-UCB-34f3ed0c-14
0.462
VLA-UNK-f702bf1c-6
0.462
MIK-ENA-4a1c9a78-1
0.461
MIK-ENA-1494235a-1
0.461
MIK-ENA-4ed700b1-1
0.461