Molecular Properties | |
SMILES: | O=C1NCC(C(=O)Nc2cncc3cc(F)ccc23)c2cc(Cl)ccc21 |
MW: | 369.07 |
Fraction sp3: | 0.11 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 2 |
TPSA: | 71.09 |
cLogP: | 3.49 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 1.14554040954517 |
Order Status | |
Ordered: | 2021-07-06 |
Synthesis Location: | enamine |
Shipped: | 2021-07-21 |
ALP-POS-6f6ae286-1
1.000
MAT-POS-865c3497-2
0.718
MAT-POS-22e8b45a-1
0.718
MIC-UNK-91acba05-1
0.718
ROB-UNI-322e8f70-3
0.718
MAT-POS-865c3497-1
0.718
PET-UNK-7279c968-9
0.681
PET-UNK-7279c968-8
0.667
PET-UNK-b38839dc-13
0.667
PET-UNK-e9bc7c59-2
0.646
PET-UNK-e9bc7c59-3
0.639
PET-UNK-b38839dc-14
0.638
PET-UNK-7279c968-7
0.621
PET-UNK-7279c968-3
0.620
EDJ-MED-827e7cb4-1
0.611
ALP-POS-f1807566-2
0.611
PET-UNK-fe31e24a-2
0.611
PET-UNK-7279c968-6
0.611
PET-UNK-fe31e24a-1
0.611
PET-UNK-7279c968-4
0.609
PET-UNK-b38839dc-12
0.609
PET-UNK-7279c968-2
0.593
PET-UNK-c671f938-1
0.592
PET-UNK-c671f938-5
0.592
EDJ-MED-d9f3798e-1
0.586
PET-UNK-7279c968-1
0.585
PET-UNK-b78139fa-5
0.581
PET-UNK-e9bc7c59-1
0.574
MAT-POS-e119ab4f-1
0.569
MAT-POS-c7726e07-2
0.569
EDJ-MED-0186a59b-5
0.569
MAT-POS-c7726e07-1
0.569
EDJ-MED-e69ed63d-11
0.567
MAT-POS-86c60949-1
0.562
EDJ-MED-b7309adf-1
0.562
PET-UNK-2c6614b6-5
0.562
EDJ-MED-e69ed63d-1
0.562
PET-UNK-03fd2068-1
0.558
PET-UNK-1e13ef09-1
0.557
EDJ-MED-e69ed63d-7
0.552
EDJ-MED-e69ed63d-3
0.547
PET-UNK-3324058f-1
0.546
PET-UNK-3324058f-5
0.546
EDJ-MED-e69ed63d-6
0.537
EDJ-MED-e69ed63d-9
0.537
EDJ-MED-e69ed63d-17
0.537
EDJ-MED-e69ed63d-15
0.537
EDJ-MED-e69ed63d-13
0.537
DAR-DIA-9f765dc6-1
0.526
DAR-DIA-9f765dc6-4
0.526
DAR-DIA-9f765dc6-3
0.526
PET-UNK-407a74a5-18
0.525
PET-UNK-03fd2068-4
0.525
EDJ-MED-f9b78f78-5
0.505
DAR-DIA-9f765dc6-5
0.505
DAR-DIA-9f765dc6-2
0.505
DAR-DIA-9f765dc6-6
0.505
BEN-DND-f06bfa8e-1
0.505
PET-UNK-f9b7ae87-5
0.505
PET-UNK-407a74a5-13
0.500
BEN-DND-f06bfa8e-2
0.495
EDJ-MED-0186a59b-1
0.495
EDJ-MED-7889e8da-1
0.495
ALP-POS-6f6ae286-5
0.495
EDG-MED-ee636701-2
0.495
EDJ-MED-dd2a8363-1
0.495
MIC-UNK-8758c41d-2
0.495
EDJ-MED-dd2a8363-3
0.490
PET-UNK-ff046148-4
0.486
PET-UNK-03fd2068-2
0.485
MAT-POS-acfe5bae-6
0.485
ALP-POS-f1807566-1
0.485
EDG-MED-ee636701-4
0.482
PET-UNK-ff046148-2
0.482
EDJ-MED-dd2a8363-4
0.480
ALP-POS-6f6ae286-6
0.477
BEN-DND-f06bfa8e-3
0.477
EDJ-MED-ede277f6-7
0.477
EDJ-MED-dd2a8363-5
0.476
EDJ-MED-41558c53-9
0.475
RAL-THA-5ed3c24e-3
0.474
EDJ-MED-ede277f6-4
0.473
BEN-DND-f06bfa8e-4
0.471
ERI-UCB-b3e6b0c2-11
0.471
BEN-DND-d6f8d3c6-1
0.470
EDJ-MED-e18764cb-2
0.470
MAT-POS-af1eef35-3
0.470
ALP-POS-a577c8a2-1
0.470
EDJ-MED-be9e6f63-2
0.469
PET-UNK-ff046148-3
0.469
EDJ-MED-7889e8da-2
0.469
JIN-POS-6dc588a4-11
0.467
EDJ-MED-f9b78f78-1
0.466
EDJ-MED-827e7cb4-7
0.465
MAR-UCB-6ab2ec87-1
0.459
BEN-DND-a88ffd65-4
0.458
PET-UNK-03fd2068-6
0.458
EDJ-MED-ede277f6-1
0.457
EDJ-MED-ede277f6-10
0.457
ALP-POS-6f6ae286-4
0.457