Molecule Details
| Molecular Properties | |
| SMILES: | O=C(Cc1cccc(Cl)c1)Nc1cnnc2ccccc12 |
| 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: | 99.5 |
| IC50 (µM) - RapidFire: | 99.0 |
| Order Status | |
| Ordered: | 2020-07-24 |
| Synthesis Location: | wuxi |
| Shipped: | 2020-08-26 |
EDJ-MED-50fe53e8-2
1.000
RUB-POS-1325a9ea-17
0.554
ADA-UCB-6c2cb422-1
0.541
PET-UNK-158bee2a-1
0.521
VLA-UNK-4cf5aa07-1
0.521
JOH-UNI-6fede743-1
0.519
JIN-POS-6dc588a4-24
0.519
MIC-UNK-08cd9c58-1
0.513
JIN-POS-6dc588a4-23
0.513
MAT-POS-f7918075-3
0.513
EDG-MED-0da5ad92-16
0.507
JIN-POS-6dc588a4-21
0.500
RUB-POS-1325a9ea-5
0.500
MAT-POS-bb423b95-8
0.500
MAT-POS-f7918075-5
0.500
JIN-POS-6dc588a4-7
0.494
MAT-POS-bb423b95-1
0.494
MAT-POS-bb423b95-9
0.494
VLA-UNK-4cf5aa07-2
0.493
JIN-POS-6dc588a4-18
0.487
JIN-POS-6dc588a4-13
0.487
MAT-POS-3cc264b0-1
0.487
EDJ-MED-50fe53e8-1
0.487
JIN-POS-6dc588a4-5
0.487
JAN-GHE-5a013bed-10
0.472
PET-UNK-7f7e354d-7
0.468
JIN-POS-6dc588a4-22
0.468
RUB-POS-1325a9ea-13
0.468
EDG-MED-0da5ad92-21
0.466
SAM-UNK-2684b532-13
0.466
ALP-POS-95b75b4d-8
0.466
JIN-POS-6dc588a4-12
0.463
PET-UNK-b1ef24dc-3
0.463
PET-UNK-b1ef24dc-4
0.463
JOH-UNI-6fede743-3
0.462
MAT-POS-bb423b95-6
0.462
JIN-POS-6dc588a4-19
0.462
ANN-UNI-98d2bf15-3
0.461
JOH-UNI-abfda500-4
0.461
TRY-UNI-714a760b-3
0.461
JOH-UNI-abfda500-5
0.461
EDG-MED-0da5ad92-17
0.461
ALP-POS-95b75b4d-6
0.459
JAN-GHE-5a013bed-11
0.458
MAT-POS-90fd5f68-19
0.458
MAT-POS-90fd5f68-1
0.458
JIN-POS-6dc588a4-11
0.457
RUB-POS-1325a9ea-15
0.457
MAT-POS-4211dce8-1
0.456
PET-UNK-8df914d1-3
0.453
TRY-UNI-714a760b-6
0.453
MAT-POS-c20a539d-6
0.451
RUB-POS-1325a9ea-4
0.451
MAT-POS-29385cc1-3
0.451
MAT-POS-90fd5f68-40
0.451
JAN-GHE-5a013bed-9
0.451
JAN-GHE-5a013bed-6
0.451
ROB-UNI-daaf9793-1
0.450
MAT-POS-e1b5ac6b-1
0.450
EDJ-MED-a364e151-3
0.450
MIC-UNK-d935700b-1
0.449
JIN-POS-6dc588a4-3
0.449
ABI-SAT-4d06482b-2
0.447
MAT-POS-90fd5f68-41
0.447
PET-UNK-d899bab6-3
0.447
PET-UNK-f4e47ebd-1
0.447
PET-UNK-f4e47ebd-2
0.447
MAT-POS-90fd5f68-37
0.446
MAT-POS-90fd5f68-38
0.446
MAT-POS-c20a539d-2
0.446
RUB-POS-1325a9ea-18
0.444
JAN-GHE-5a013bed-7
0.444
NAU-LAT-e1818702-10
0.444
EDJ-MED-076d6e64-1
0.444
ALP-POS-3b848b35-3
0.443
VLA-UCB-00f2c2b3-7
0.443
MAT-POS-90fd5f68-6
0.442
MAT-POS-90fd5f68-39
0.442
EDJ-MED-00c1612e-1
0.440
PET-UNK-8df914d1-1
0.440
EDG-MED-0da5ad92-12
0.440
EDG-MED-0da5ad92-14
0.440
EDJ-MED-c8e7a002-12
0.438
JIN-POS-6dc588a4-9
0.438
ALP-POS-95b75b4d-5
0.438
MAT-POS-bb423b95-4
0.438
MAK-UNK-6ca90168-23
0.436
MAT-POS-c0609ef7-1
0.435
MAT-POS-c20a539d-1
0.435
PET-UNK-d899bab6-1
0.435
MAT-POS-c20a539d-5
0.435
PET-UNK-6314f867-2
0.435
MAT-POS-90fd5f68-25
0.435
MAT-POS-90fd5f68-7
0.435
MAT-POS-c20a539d-4
0.435
MAT-POS-90fd5f68-4
0.435
MAT-POS-90fd5f68-22
0.435
MIC-UNK-fbef42b7-1
0.433
JOH-UNI-6fede743-4
0.432
ALP-POS-0c2c77e1-1
0.432