Molecule Details
| Molecular Properties | |
| SMILES: | O=C(Cc1cccc(Cl)c1)Nc1cncc2ncccc12 |
| MW: | 297.07 |
| Fraction sp3: | 0.06 |
| HBA: | 3 |
| HBD: | 1 |
| Rotatable Bonds: | 3 |
| TPSA: | 54.88 |
| cLogP: | 3.46 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Activity Data | |
| IC50 (µM) - Fluorescence: | 67.1123602063983 |
| IC50 (µM) - RapidFire: | 57.9270096444696 |
| pIC50 (µM) - Fluorescence | 4.17319748765382 |
| Order Status | |
| Ordered: | 2020-08-18 |
| Synthesis Location: | enamine |
| Shipped: | 2020-09-09 |
ADA-UCB-6c2cb422-1
MIC-UNK-08cd9c58-1
1.000
MAT-POS-bb423b95-1
0.581
ADA-UCB-6c2cb422-1
0.568
MAT-POS-f7918075-5
0.566
MAT-POS-bb423b95-9
0.560
ALP-POS-95b75b4d-6
0.528
MAT-POS-bb423b95-8
0.526
MAT-POS-bb423b95-2
0.526
JAN-GHE-5a013bed-10
0.521
MAT-POS-f7918075-8
0.519
EDJ-MED-00c1612e-1
0.519
PET-UNK-8df914d1-1
0.519
SAM-UNK-2684b532-13
0.514
ALP-POS-95b75b4d-8
0.514
EDJ-MED-50fe53e8-2
0.513
MAT-POS-f7918075-6
0.513
EDG-MED-0da5ad92-14
0.507
SID-ELM-2583a2cd-21
0.506
PET-UNK-8df914d1-3
0.500
TRY-UNI-714a760b-6
0.500
EDJ-MED-a364e151-3
0.494
SAM-UNK-2684b532-12
0.494
ABI-SAT-4d06482b-2
0.493
SID-ELM-2583a2cd-20
0.487
TRY-UNI-714a760b-3
0.487
AGN-NEW-c7b24fe3-4
0.487
ANN-UNI-98d2bf15-3
0.487
AGN-NEW-c7b24fe3-5
0.487
MAT-POS-bb423b95-4
0.481
ALP-POS-95b75b4d-5
0.481
MAK-UNK-6ca90168-23
0.481
AGN-NEW-c7b24fe3-1
0.481
MAT-POS-14ad9fe9-1
0.476
SAM-UNK-2684b532-11
0.474
MAT-POS-bb423b95-5
0.474
MIC-UNK-50cce87d-3
0.469
ALP-POS-95b75b4d-7
0.468
EDG-MED-0da5ad92-17
0.468
JAN-GHE-5a013bed-8
0.466
EDG-MED-0da5ad92-2
0.466
EDJ-MED-a364e151-2
0.463
MIC-UNK-50cce87d-2
0.463
MAK-UNK-ffc90da7-5
0.462
MAT-POS-f7918075-7
0.458
MIC-UNK-50cce87d-4
0.458
ALP-POS-0c2c77e1-1
0.457
MAT-POS-bb423b95-3
0.457
EDG-MED-0da5ad92-21
0.453
EDG-MED-0da5ad92-16
0.453
MAT-POS-199e2e7c-1
0.451
MIC-UNK-50cce87d-1
0.451
EDG-MED-0da5ad92-12
0.447
EDJ-MED-a364e151-1
0.446
MAT-POS-f7918075-4
0.446
MIC-UNK-8971c93c-1
0.446
MAT-POS-4211dce8-1
0.444
EDJ-MED-976da9a6-1
0.442
JAN-GHE-5a013bed-9
0.438
MIC-UNK-d935700b-1
0.438
EDG-MED-0da5ad92-13
0.434
MAT-POS-bb423b95-6
0.432
VLA-UCB-00f2c2b3-7
0.432
MAK-UNK-ffc90da7-8
0.432
MAK-UNK-ffc90da7-3
0.432
EDJ-MED-c8e7a002-12
0.427
MIC-UNK-66895286-1
0.427
JAN-GHE-5a013bed-11
0.427
EDJ-MED-976da9a6-2
0.425
MAT-POS-e1b5ac6b-1
0.422
EDJ-MED-50fe53e8-1
0.422
MAT-POS-3cc264b0-1
0.422
EDJ-MED-c8e7a002-14
0.422
JAN-GHE-5a013bed-6
0.419
MAK-UNK-ffc90da7-6
0.418
MIC-UNK-d935700b-2
0.417
PET-UNK-8df914d1-4
0.416
EDJ-MED-49816e9b-2
0.416
ALP-POS-3b848b35-3
0.415
EDJ-MED-49816e9b-3
0.410
EDG-MED-0da5ad92-15
0.405
MAT-POS-199e2e7c-2
0.400
ALP-POS-f13221e1-3
0.400
EDG-MED-0da5ad92-18
0.400
EDJ-MED-c8e7a002-16
0.400
NAU-LAT-e1818702-10
0.395
JAN-GHE-5a013bed-7
0.395
EDJ-MED-50fe53e8-3
0.393
PET-UNK-c9c1e0d8-1
0.393
NAU-LAT-a5c7d7cb-11
0.388
PET-UNK-8df914d1-5
0.386
TRY-UNI-1fd04853-5
0.384
MAK-UNK-ffc90da7-9
0.383
EDJ-MED-c8e7a002-11
0.381
NAU-LAT-a5c7d7cb-10
0.381
NAU-LAT-e1818702-7
0.380
JAG-UCB-a3ef7265-15
0.380
JAG-UCB-a3ef7265-17
0.380
EDJ-MED-c8e7a002-2
0.379
JAN-GHE-5a013bed-5
0.378
DAR-DIA-0cde14eb-48
0.378