Molecule Details
| Molecular Properties | |
| SMILES: | O=C(Cc1cccc(Cl)c1)Nc1cnccc1C(F)(F)F |
| MW: | 314.04 |
| Fraction sp3: | 0.14 |
| HBA: | 2 |
| HBD: | 1 |
| Rotatable Bonds: | 3 |
| TPSA: | 41.99 |
| cLogP: | 3.94 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Source | |
| Enamine REAL: | s_11____12864872____3020516 |
| Enamine Extended REAL: | s_11____12864872____3020516 |
| Activity Data | |
| IC50 (µM) - Fluorescence: | 18.1606601875142 |
| Order Status | |
| Ordered: | 2021-03-23 |
| Synthesis Location: | enamine |
| Shipped: | 2021-04-07 |
high halogen content (>3)
ADA-UCB-6c2cb422-1
JIN-POS-6dc588a4-4
1.000
RUB-POS-1325a9ea-19
0.746
SAM-UNK-2684b532-13
0.651
ALP-POS-95b75b4d-8
0.651
ALP-POS-95b75b4d-6
0.615
JOH-UNI-abfda500-5
0.612
ANN-UNI-98d2bf15-3
0.612
TRY-UNI-714a760b-6
0.606
SAM-UNK-2684b532-11
0.594
JOH-UNI-abfda500-4
0.588
ALP-POS-95b75b4d-7
0.586
MIC-UNK-668ac5de-1
0.581
MAK-UNK-6ca90168-23
0.580
MAT-POS-bb423b95-5
0.571
JIN-POS-6dc588a4-3
0.571
ALP-POS-0c2c77e1-1
0.569
JIN-POS-6dc588a4-6
0.569
MAT-POS-bb423b95-3
0.569
ALP-POS-95b75b4d-5
0.556
MAT-POS-bb423b95-4
0.556
SAM-UNK-2684b532-6
0.548
JAN-GHE-5a013bed-10
0.537
MAT-POS-bb423b95-1
0.534
JOH-UNI-3fc3434e-3
0.532
JOH-UNI-ee5ed7c8-3
0.532
MAT-POS-f7918075-5
0.520
PET-UNK-8df914d1-3
0.514
MAT-POS-bb423b95-9
0.514
ABI-SAT-4d06482b-2
0.507
JIN-POS-6dc588a4-22
0.507
JIN-POS-6dc588a4-13
0.507
TRY-UNI-714a760b-3
0.500
EDG-MED-0da5ad92-2
0.500
RUB-POS-1325a9ea-2
0.500
MIC-UNK-50cce87d-1
0.500
JAN-GHE-5a013bed-8
0.500
MIC-UNK-08cd9c58-1
0.494
MAT-POS-f7918075-3
0.494
MIC-UNK-50cce87d-2
0.493
MIC-UNK-51049f1a-6
0.493
EDJ-MED-6ab52e52-1
0.493
RUB-POS-1325a9ea-13
0.487
EDG-MED-0da5ad92-16
0.486
EDG-MED-0da5ad92-21
0.486
MIC-UNK-51049f1a-5
0.481
RUB-POS-1325a9ea-3
0.481
RUB-POS-1325a9ea-5
0.481
MAT-POS-199e2e7c-1
0.481
MAT-POS-bb423b95-2
0.481
MIC-UNK-50cce87d-3
0.481
EDJ-MED-c5ca5386-1
0.481
PET-UNK-b1ef24dc-3
0.481
JIN-POS-6dc588a4-10
0.481
PET-UNK-b1ef24dc-4
0.481
ADA-UCB-6c2cb422-1
0.480
EDG-MED-0da5ad92-14
0.479
JAN-GHE-5a013bed-11
0.478
MAT-POS-90fd5f68-6
0.476
MIC-UNK-7574fcc6-1
0.474
JIN-POS-6dc588a4-11
0.474
RUB-POS-1325a9ea-8
0.474
RUB-POS-1325a9ea-15
0.474
EDJ-MED-a364e151-1
0.474
EDJ-MED-a364e151-2
0.474
EDJ-MED-c8e7a002-12
0.474
MAT-POS-90fd5f68-23
0.471
JAN-GHE-5a013bed-9
0.471
EDJ-MED-976da9a6-1
0.469
MAT-POS-c20a539d-4
0.469
JIN-POS-6dc588a4-20
0.469
RUB-POS-1325a9ea-9
0.468
MIC-UNK-50cce87d-4
0.468
JIN-POS-6dc588a4-18
0.468
RUB-POS-1325a9ea-4
0.468
RUB-POS-1325a9ea-14
0.468
PET-UNK-e274cad4-1
0.468
EDJ-MED-a364e151-3
0.468
PET-UNK-b1ef24dc-1
0.468
RUB-POS-1325a9ea-12
0.468
PET-UNK-e274cad4-6
0.468
PET-UNK-b1ef24dc-2
0.468
PET-UNK-7f7e354d-7
0.468
DAR-DIA-0cde14eb-76
0.467
ALP-POS-95b75b4d-3
0.467
JAN-GHE-83b26c96-14
0.467
MAT-POS-90fd5f68-5
0.465
MAT-POS-90fd5f68-24
0.464
MAT-POS-90fd5f68-37
0.463
MAT-POS-90fd5f68-38
0.463
MAT-POS-29385cc1-4
0.463
MIC-UNK-f2576da4-1
0.463
PET-UNK-6314f867-3
0.463
MAT-POS-bb423b95-8
0.462
EDJ-MED-c8e7a002-16
0.462
JIN-POS-6dc588a4-12
0.462
RUB-POS-1325a9ea-11
0.462
JIN-POS-6dc588a4-14
0.462
EDJ-MED-076d6e64-1
0.462
AGN-NEW-c7b24fe3-4
0.459
AGN-NEW-c7b24fe3-5
0.459