Molecule Details
| Molecular Properties | |
| SMILES: | Cc1ccncc1NC(=O)C(C)(C)c1cccc(Cl)c1 |
| MW: | 288.778 |
| Fraction sp3: | 0.25 |
| HBA: | 2 |
| HBD: | 1 |
| Rotatable Bonds: | 3 |
| TPSA: | 41.99 |
| cLogP: | 3.95972 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Source | |
| Enamine Extended REAL: | s_22____3391102____5183200 |
| Mcule: | MCULE-9013689716 |
| MolPort: | MolPort-047-552-796 |
| Activity Data | |
| IC50 (µM) - Fluorescence: | 96.9449524776303 |
| IC50 (µM) - RapidFire: | 24.522808858117 |
| Trypsin IC50 (µM): | 99.0 |
| Order Status | |
| Ordered: | 2020-05-17 |
| Synthesis Location: | enamine |
| Shipped: | 2020-06-10 |
AAR-POS-d2a4d1df-11
EDG-MED-0da5ad92-10
1.000
MAK-UNK-f203cb68-18
0.710
JAN-GHE-83b26c96-23
0.662
BAR-COM-0f94fc3d-38
0.632
MAK-UNK-f203cb68-9
0.587
NAU-LAT-2fed8305-1
0.556
WIL-UNI-2e73223c-4
0.539
JAN-GHE-83b26c96-9
0.521
JAG-UCB-cedd89ab-8
0.515
TRY-UNI-714a760b-12
0.515
TRY-UNI-714a760b-6
0.507
MAK-UNK-6ca90168-24
0.507
TRY-UNI-2eddb1ff-4
0.507
JAN-GHE-83b26c96-4
0.507
TRY-UNI-2eddb1ff-5
0.507
JAN-GHE-83b26c96-5
0.507
TRY-UNI-714a760b-18
0.507
JAN-GHE-83b26c96-10
0.507
EDG-MED-0da5ad92-5
0.500
EDG-MED-0da5ad92-3
0.500
EDG-MED-0da5ad92-19
0.500
EDG-MED-0da5ad92-11
0.493
JAN-GHE-83b26c96-20
0.493
MAT-POS-1e5f28a7-1
0.480
ALP-POS-f13221e1-4
0.479
BAR-COM-0f94fc3d-25
0.474
JAN-GHE-83b26c96-8
0.468
SAM-UNK-2684b532-1
0.468
EDG-MED-0da5ad92-6
0.465
MAK-UNK-f203cb68-22
0.459
SAM-UNK-2684b532-2
0.455
TRY-UNI-9f475305-3
0.451
SAM-UNK-2684b532-3
0.451
MAK-UNK-f203cb68-3
0.450
AAR-POS-d2a4d1df-3
0.448
MAK-UNK-6435e6c2-8
0.448
DAR-DIA-0cde14eb-79
0.447
MAK-UNK-f203cb68-19
0.439
MAK-UNK-f203cb68-1
0.435
NAU-LAT-a5c7d7cb-3
0.434
VLA-UCB-05e51b3f-2
0.434
SAM-UNK-2684b532-4
0.434
MAK-UNK-6ca90168-26
0.429
BEN-DND-93268d01-13
0.425
SAD-SAT-7d5528d9-4
0.424
JAN-GHE-83b26c96-14
0.421
ALP-POS-95b75b4d-3
0.421
DAR-DIA-0cde14eb-76
0.421
EDG-MED-0da5ad92-20
0.417
JAN-GHE-83b26c96-21
0.417
MAT-POS-136e7878-1
0.414
MAK-UNK-f203cb68-4
0.414
MAK-UNK-f203cb68-21
0.414
MAK-UNK-6ca90168-27
0.413
DAR-DIA-0cde14eb-77
0.412
SAD-SAT-7d5528d9-7
0.412
TRY-UNI-2eddb1ff-2
0.411
EDG-MED-0da5ad92-8
0.411
ASH-SAT-43770c7d-9
0.409
MAR-TRE-4b834d9a-26
0.402
MAK-UNK-f203cb68-20
0.400
TRY-UNI-2eddb1ff-3
0.400
ADA-UCB-6c2cb422-9
0.396
GAB-REV-70cc3ca5-22
0.395
BAR-COM-0f94fc3d-41
0.395
JAN-GHE-83b26c96-17
0.395
RAL-THA-6b94ceba-6
0.392
MAT-POS-590ac91e-13
0.391
ADA-UCB-6c2cb422-2
0.390
EDJ-MED-e58735b6-1
0.390
DAR-DIA-2964957d-2
0.390
AHN-SAT-202241f6-1
0.389
TRY-UNI-714a760b-17
0.389
MAT-POS-b3e365b9-4
0.388
MAT-POS-b3e365b9-3
0.388
DAR-DIA-6a508060-6
0.388
BRU-CON-c4e3408a-1
0.388
JAN-GHE-f4ca5a00-13
0.388
ERI-UCB-5b47150d-1
0.388
MAT-POS-590ac91e-1
0.388
MAT-POS-590ac91e-2
0.388
DAR-DIA-0cde14eb-6
0.388
EDJ-MED-e58735b6-2
0.387
EDJ-MED-49816e9b-1
0.387
ALP-POS-95b75b4d-2
0.387
JAN-GHE-83b26c96-13
0.387
TRY-UNI-714a760b-4
0.386
ALE-HEI-f28a35b5-1
0.386
DAR-DIA-0cde14eb-11
0.386
MAT-POS-6c3d76b3-1
0.385
MAT-POS-0d6fb2dd-1
0.385
GAB-REV-70cc3ca5-21
0.384
ABI-SAT-4d06482b-1
0.384
RAL-THA-6b94ceba-7
0.383
DAR-DIA-0cde14eb-2
0.383
ALP-POS-95b75b4d-1
0.382
JAN-GHE-83b26c96-12
0.382
RIT-AID-a492ba81-1
0.380
TRY-UNI-714a760b-5
0.380
BAR-COM-0f94fc3d-19
0.380