Molecular Properties | |
SMILES: | CC1(C(=O)Nc2cncc3ccccc23)CNC(=O)c2ccc(Cl)cc21 |
MW: | 365.09 |
Fraction sp3: | 0.15 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 2 |
TPSA: | 71.09 |
cLogP: | 3.53 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 0.875553971215235 |
Order Status | |
Ordered: | 2021-06-25 |
Synthesis Location: | enamine |
Shipped: | 2021-07-15 |
MIC-UNK-91acba05-1
RAL-THA-176e263b-4
1.000
MAT-POS-edabd372-2
0.711
MAT-POS-22e8b45a-3
0.697
RAL-THA-176e263b-1
0.697
JOH-UNI-e398da21-1
0.685
PET-UNK-407a74a5-8
0.670
ALP-POS-f1807566-3
0.659
MAT-POS-2e8b2191-5
0.659
EDJ-MED-2f867453-1
0.655
PET-UNK-407a74a5-3
0.641
PET-UNK-ad758083-3
0.612
RAL-THA-176e263b-3
0.591
MAT-POS-806462de-1
0.591
MAT-POS-806462de-2
0.591
ALP-POS-1cbc2fae-1
0.591
EDJ-MED-2f867453-2
0.589
PET-UNK-0d6841fa-3
0.588
MIC-UNK-e8d6fb58-1
0.574
LUO-POS-868e8996-6
0.570
MAT-POS-853c0ffa-2
0.570
ALP-POS-e266d783-1
0.570
EDJ-MED-43f8f7d6-5
0.570
LUO-POS-868e8996-5
0.570
RAL-THA-a9c31980-7
0.563
MAT-POS-2e8b2191-4
0.547
DAR-DIA-6a508060-10
0.543
MAT-POS-8e4737f4-1
0.543
EDJ-MED-e4b030d8-13
0.543
BEN-DND-a7517465-4
0.543
MAT-POS-83f73d0a-3
0.542
EDJ-MED-70ab3faf-1
0.531
EDJ-MED-9e38fd34-2
0.527
EDJ-MED-9e38fd34-1
0.527
EDJ-MED-9e38fd34-3
0.527
LUO-POS-433ce175-1
0.526
MAT-POS-777f5926-1
0.521
MAT-POS-22e8b45a-4
0.521
MAT-POS-fb82b63d-2
0.516
MAT-UNK-28cf4d29-1
0.515
MAT-POS-89bd6af1-3
0.515
MAT-POS-c7771779-2
0.515
ALP-POS-e266d783-2
0.515
MAT-POS-89e65850-1
0.515
VLA-UCB-1dbca3b4-14
0.510
EDJ-MED-e4b030d8-1
0.510
DAR-DIA-0d514e7d-30
0.510
MAT-POS-c7771779-1
0.510
PET-UNK-407a74a5-4
0.505
ALP-POS-1cbc2fae-2
0.500
MAT-POS-83f73d0a-4
0.500
PET-UNK-1abb40f2-1
0.500
PET-UNK-1abb40f2-3
0.500
MIC-UNK-ea4eb352-3
0.500
MAT-POS-d8472c4f-3
0.500
EDJ-MED-827e7cb4-6
0.495
PET-UNK-757f8bc8-8
0.495
MAT-POS-c88128cb-4
0.495
DAR-DIA-ecdbc7dd-17
0.495
RAL-THA-176e263b-2
0.495
MAT-POS-22e8b45a-1
0.495
MAT-POS-865c3497-2
0.495
MAT-POS-c74bc7b3-1
0.495
MAT-POS-865c3497-1
0.495
ROB-UNI-322e8f70-3
0.495
MIC-UNK-91acba05-1
0.495
MAT-POS-c74bc7b3-2
0.495
LUO-POS-66f38ea0-1
0.491
MAT-POS-c88128cb-5
0.491
PET-UNK-fe31e24a-3
0.490
DAR-DIA-0d514e7d-28
0.490
DAR-DIA-0d514e7d-29
0.490
PET-UNK-022eab87-2
0.490
PET-UNK-7955f415-3
0.486
PET-UNK-7955f415-1
0.486
MIK-ENA-e76e31f3-1
0.486
MAT-POS-e119ab4f-5
0.486
MIK-ENA-d22671f7-1
0.486
LUO-POS-868e8996-1
0.486
MIK-ENA-f5fe7855-1
0.486
LUO-POS-868e8996-2
0.486
MAT-POS-64942dd0-4
0.485
DAR-DIA-ecdbc7dd-15
0.485
PET-UNK-407a74a5-18
0.485
MAT-POS-c88128cb-6
0.481
PET-UNK-f9b7ae87-5
0.481
DAR-DIA-0d514e7d-27
0.480
PET-UNK-407a74a5-6
0.480
MIC-UNK-ea4eb352-4
0.480
EDG-MED-90036822-86
0.480
MAT-POS-2905de8c-3
0.480
LUO-POS-3b937086-1
0.477
MAT-POS-c88128cb-8
0.477
PET-UNK-5ad1c31a-11
0.477
PET-UNK-5ad1c31a-5
0.477
PET-UNK-5ad1c31a-6
0.477
PET-UNK-5ad1c31a-12
0.477
PET-UNK-fe31e24a-4
0.476
MAT-POS-e6dd326d-9
0.476
PET-UNK-1abb40f2-2
0.476
PET-UNK-1abb40f2-4
0.476