Molecular Properties | |
SMILES: | O=C1N(c2cncc3ccccc23)CC[C@@]1(O)c1cccc(Cl)c1 |
MW: | 338.08 |
Fraction sp3: | 0.16 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 53.43 |
cLogP: | 3.51 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 90.6742471460022 |
Order Status | |
Shipped: | 2021-06-23 |
MAT-POS-d8472c4f-1
1.000
MAT-POS-8695a11f-1
1.000
EDJ-MED-96f6b92c-1
0.824
ALP-UNI-dbb9503d-1
0.662
ALP-UNI-dbb9503d-2
0.612
PET-UNK-7be94445-2
0.512
MAT-POS-a9372f04-1
0.511
PET-UNK-7be94445-1
0.500
DAR-DIA-5d6f1b43-10
0.500
DAR-DIA-0f7b7cd9-7
0.500
JAG-UCB-f37eaa14-2
0.495
DAR-DIA-6be260fc-1
0.495
EDG-MED-5d232de5-7
0.494
GIA-UNK-80c9bc96-1
0.494
EDG-MED-5d232de5-8
0.494
PET-UNK-c9c1e0d8-4
0.494
PET-UNK-431b3bfb-1
0.489
ALP-UNI-58319883-2
0.489
EDJ-MED-7587a9ee-3
0.485
JAG-UCB-f37eaa14-3
0.484
PET-UNK-c9c1e0d8-3
0.483
BEN-DND-d1eb1f41-7
0.483
MAT-POS-24589f88-14
0.483
MIC-UNK-d854bf4c-3
0.480
MIC-UNK-d854bf4c-1
0.480
MIC-UNK-d854bf4c-7
0.475
EDJ-MED-94fddcec-4
0.474
EDJ-MED-159244ea-1
0.474
ALP-POS-477dc5b7-4
0.474
MAT-POS-983b399a-1
0.474
EDJ-MED-d4864bdc-3
0.474
ALP-POS-41e2080f-1
0.474
JOH-MSK-4bb3d434-1
0.471
ALP-POS-4483ae88-1
0.469
EDJ-MED-f9b78f78-4
0.469
DAR-DIA-6be260fc-5
0.469
VLA-UNK-5d8210f0-5
0.467
JAG-UCB-f37eaa14-7
0.466
DAR-DIA-6be260fc-6
0.464
DAR-DIA-5d6f1b43-12
0.462
DAR-DIA-0f7b7cd9-5
0.461
LUO-POS-e1dab717-19
0.460
MIC-UNK-d854bf4c-5
0.460
EDJ-MED-7587a9ee-2
0.460
ALP-POS-ecbed2ba-20
0.460
ALP-POS-4483ae88-2
0.457
LUO-POS-ed2cfb03-2
0.455
VLA-UNK-3bd6fc51-1
0.455
JAG-UCB-f37eaa14-1
0.454
VLA-UNK-c65c1026-1
0.454
ALP-POS-ecbed2ba-10
0.453
MIK-ENA-37e0b697-1
0.451
LUO-POS-9931618f-1
0.451
MIK-ENA-794411b8-1
0.451
LUO-POS-9931618f-2
0.451
EDJ-MED-8bb691af-4
0.451
LUO-POS-868e8996-11
0.451
MAT-POS-c7726e07-5
0.451
PET-UNK-14142a25-1
0.451
PET-UNK-14142a25-10
0.451
EDJ-MED-8bb691af-8
0.451
LUO-POS-868e8996-12
0.451
MAT-POS-c7726e07-6
0.451
JAG-UCB-f37eaa14-9
0.450
EDJ-MED-33064c06-8
0.449
VLA-UCB-1dbca3b4-3
0.448
VLA-UNK-61877630-4
0.448
VLA-UNK-5d8210f0-4
0.448
VLA-UNK-8e615992-1
0.448
VLA-UNK-5d8210f0-1
0.448
PET-UNK-aa57768f-2
0.446
PET-UNK-aa57768f-8
0.446
PET-UNK-aa57768f-9
0.446
PET-UNK-aa57768f-3
0.446
VLA-UCB-1dbca3b4-13
0.444
VLA-UNK-f2612802-3
0.444
LUO-POS-e1dab717-11
0.444
VLA-UNK-8e615992-5
0.444
EDJ-MED-3af0740c-1
0.444
VLA-UNK-61877630-6
0.444
EDJ-MED-976a33d5-3
0.443
YVE-CNR-132fc2df-1
0.443
JAG-UCB-f37eaa14-6
0.441
MIC-UNK-9582b2c5-1
0.441
VLA-UNK-e334495f-3
0.440
EDJ-MED-6b23330e-6
0.440
EDJ-MED-33064c06-12
0.440
EDJ-MED-33064c06-14
0.440
VLA-UNK-61877630-9
0.440
ALP-POS-e0fe77e5-13
0.440
ALP-POS-e0fe77e5-7
0.440
ALP-POS-477dc5b7-5
0.440
MAT-POS-e20a5dfb-1
0.440
MAT-POS-e20a5dfb-2
0.440
VLA-UNK-8e615992-4
0.439
BRU-THA-ae0174a8-1
0.439
MAT-POS-e75f6e44-1
0.439
VLA-UNK-61877630-3
0.439
EDJ-MED-33064c06-2
0.439
ALP-POS-ecbed2ba-14
0.439