Molecule Details
| Molecular Properties | |
| SMILES: | CC(C)(C)Oc1ccncc1NC(=O)Cc1cccc(Cl)c1 |
| MW: | 318.11 |
| Fraction sp3: | 0.29 |
| HBA: | 3 |
| HBD: | 1 |
| Rotatable Bonds: | 4 |
| TPSA: | 51.22 |
| cLogP: | 4.09 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Activity Data | |
| IC50 (µM) - Fluorescence: | 22.9226567408969 |
| Order Status | |
| Ordered: | 2021-03-23 |
| Synthesis Location: | enamine |
| Shipped: | 2021-03-31 |
ADA-UCB-6c2cb422-1
JIN-POS-6dc588a4-3
0.738
RUB-POS-1325a9ea-19
0.614
TRY-UNI-714a760b-6
0.603
SAM-UNK-2684b532-13
0.597
ALP-POS-95b75b4d-8
0.597
ALP-POS-95b75b4d-6
0.588
MAT-POS-bb423b95-5
0.569
SAM-UNK-2684b532-12
0.569
JIN-POS-6dc588a4-4
0.569
JOH-UNI-abfda500-4
0.563
JOH-UNI-abfda500-5
0.563
ANN-UNI-98d2bf15-3
0.563
ALP-POS-95b75b4d-7
0.562
MAK-UNK-6ca90168-23
0.556
SAM-UNK-2684b532-11
0.548
PET-UNK-8df914d1-3
0.535
MAT-POS-bb423b95-1
0.533
ALP-POS-95b75b4d-5
0.533
MAT-POS-bb423b95-4
0.533
ALP-POS-0c2c77e1-1
0.526
MAT-POS-bb423b95-3
0.526
TRY-UNI-714a760b-3
0.521
MAT-POS-f7918075-5
0.519
JAN-GHE-5a013bed-10
0.514
ABI-SAT-4d06482b-2
0.507
JIN-POS-6dc588a4-18
0.506
ADA-UCB-6c2cb422-1
0.500
MAT-POS-90fd5f68-6
0.494
MAT-POS-bb423b95-9
0.494
MAT-POS-c20a539d-1
0.488
MAT-POS-c20a539d-4
0.488
MIC-UNK-50cce87d-4
0.487
RUB-POS-1325a9ea-9
0.487
JIN-POS-6dc588a4-13
0.487
JIN-POS-6dc588a4-22
0.487
EDG-MED-0da5ad92-16
0.486
EDG-MED-0da5ad92-21
0.486
MAT-POS-90fd5f68-24
0.482
MAT-POS-90fd5f68-38
0.481
MAT-POS-c20a539d-2
0.481
MAT-POS-199e2e7c-1
0.481
JIN-POS-6dc588a4-10
0.481
MAT-POS-bb423b95-2
0.481
RUB-POS-1325a9ea-5
0.481
EDG-MED-0da5ad92-17
0.480
EDG-MED-0da5ad92-14
0.479
JAN-GHE-5a013bed-8
0.479
EDG-MED-0da5ad92-2
0.479
PET-UNK-8df914d1-1
0.476
EDJ-MED-00c1612e-1
0.476
MAT-POS-f7918075-3
0.475
MIC-UNK-08cd9c58-1
0.475
MAT-POS-90fd5f68-22
0.470
MAT-POS-90fd5f68-4
0.470
RUB-POS-1325a9ea-14
0.469
PET-UNK-e274cad4-1
0.469
MAT-POS-c20a539d-6
0.469
MAT-POS-29385cc1-3
0.469
RUB-POS-1325a9ea-4
0.469
PET-UNK-b1ef24dc-1
0.468
RUB-POS-1325a9ea-13
0.468
PET-UNK-e274cad4-6
0.468
MIC-UNK-d935700b-1
0.468
PET-UNK-b38839dc-2
0.464
MAT-POS-90fd5f68-41
0.464
MIC-UNK-668ac5de-1
0.463
MIC-UNK-f2576da4-1
0.463
MAT-POS-90fd5f68-37
0.463
RUB-POS-1325a9ea-11
0.463
MAT-POS-bb423b95-8
0.463
RUB-POS-1325a9ea-3
0.463
MIC-UNK-50cce87d-3
0.463
PET-UNK-b1ef24dc-3
0.463
PET-UNK-b1ef24dc-4
0.463
PET-UNK-7fb4f80a-1
0.460
MAT-POS-29385cc1-2
0.459
MAT-POS-90fd5f68-2
0.459
MAT-POS-90fd5f68-39
0.459
EDJ-MED-a364e151-1
0.457
JIN-POS-6dc588a4-23
0.457
RUB-POS-1325a9ea-8
0.457
RUB-POS-1325a9ea-15
0.457
JIN-POS-6dc588a4-11
0.457
EDJ-MED-6ab52e52-1
0.456
MIC-UNK-50cce87d-2
0.456
MIC-UNK-51049f1a-6
0.456
PET-UNK-b38839dc-1
0.453
MAT-POS-90fd5f68-9
0.453
MAT-POS-90fd5f68-35
0.453
MAT-POS-29385cc1-1
0.453
EDG-MED-0da5ad92-6
0.453
MAT-POS-14ad9fe9-1
0.452
PET-UNK-d899bab6-1
0.452
EDJ-MED-239d8ca5-1
0.452
MAT-POS-90fd5f68-7
0.452
EDJ-MED-c5ca5386-2
0.452
MAT-POS-90fd5f68-25
0.452
MAT-POS-90fd5f68-40
0.451
JAN-GHE-5a013bed-9
0.451
EDJ-MED-a364e151-3
0.450