Molecule Details
| Molecular Properties | |
| SMILES: | O=C(Cc1cccc(Cl)c1)Nc1noc2ccccc12 |
| MW: | 286.05 |
| Fraction sp3: | 0.07 |
| HBA: | 3 |
| HBD: | 1 |
| Rotatable Bonds: | 3 |
| TPSA: | 55.13 |
| cLogP: | 3.66 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Activity Data | |
| IC50 (µM) - Fluorescence: | 99.5 |
| Order Status | |
| Ordered: | 2021-03-23 |
| Synthesis Location: | enamine |
| Shipped: | 2021-03-24 |
ADA-UCB-6c2cb422-1
JIN-POS-6dc588a4-16
0.643
EDJ-MED-c8e7a002-1
0.608
JIN-POS-6dc588a4-2
0.569
JIN-POS-6dc588a4-15
0.533
VLA-UNK-4cf5aa07-2
0.528
JIN-POS-6dc588a4-7
0.507
NAU-LAT-a5c7d7cb-11
0.500
EDJ-MED-c8e7a002-11
0.493
NAU-LAT-a5c7d7cb-10
0.493
MAT-POS-3cc264b0-1
0.481
EDJ-MED-50fe53e8-1
0.481
EDG-MED-0da5ad92-15
0.466
PET-UNK-158bee2a-1
0.453
VLA-UNK-4cf5aa07-1
0.453
JAN-GHE-5a013bed-9
0.443
EDJ-MED-c8e7a002-9
0.438
JIN-POS-6dc588a4-21
0.438
JOH-UNI-6fede743-1
0.438
JIN-POS-6dc588a4-24
0.438
PET-UNK-b1ef24dc-3
0.438
JAN-GHE-5a013bed-7
0.437
NAU-LAT-e1818702-10
0.437
ADA-UCB-6c2cb422-1
0.436
JIN-POS-6dc588a4-23
0.432
EDG-MED-0da5ad92-2
0.431
EDJ-MED-50fe53e8-3
0.430
RUB-POS-1325a9ea-17
0.430
JOH-UNI-6fede743-4
0.425
ROB-UNI-daaf9793-1
0.425
MAT-POS-f7918075-6
0.425
EDJ-MED-50fe53e8-2
0.425
MAT-POS-e1b5ac6b-1
0.425
JIN-POS-6dc588a4-5
0.423
PET-UNK-158bee2a-2
0.423
JAN-GHE-5a013bed-6
0.423
EDJ-MED-c8e7a002-16
0.420
RUB-POS-1325a9ea-18
0.420
MAT-POS-199e2e7c-2
0.420
EDG-MED-0da5ad92-21
0.419
NAU-LAT-e1818702-7
0.419
JAG-UCB-a3ef7265-17
0.419
JIN-POS-6dc588a4-19
0.418
MAT-POS-bb423b95-6
0.418
JOH-UNI-6fede743-3
0.418
JOH-UNI-6fede743-2
0.415
EDG-MED-0da5ad92-12
0.413
ALP-POS-95b75b4d-6
0.413
EDJ-MED-49816e9b-3
0.413
EDJ-MED-49816e9b-5
0.413
MAT-POS-4211dce8-1
0.412
PET-UNK-158bee2a-4
0.411
MIC-UNK-66895286-1
0.411
JAN-GHE-5a013bed-8
0.411
JAN-GHE-5a013bed-11
0.411
JOH-UNI-ee5ed7c8-8
0.410
JOH-UNI-3fc3434e-8
0.410
PET-UNK-8df914d1-3
0.408
PET-UNK-7f7e354d-7
0.407
VLA-UNK-411a133b-2
0.405
JAN-GHE-5a013bed-10
0.405
RUB-POS-1325a9ea-5
0.402
MAT-POS-199e2e7c-1
0.402
EDG-MED-0da5ad92-16
0.400
ALP-POS-95b75b4d-8
0.400
SAM-UNK-2684b532-13
0.400
EDG-MED-0da5ad92-13
0.400
VLA-UNK-411a133b-1
0.400
EDJ-MED-49816e9b-2
0.400
VLA-UCB-00f2c2b3-7
0.400
PET-UNK-8df914d1-4
0.400
JAN-GHE-5a013bed-5
0.400
PET-UNK-158bee2a-3
0.400
JAG-UCB-a3ef7265-15
0.400
EDJ-MED-c8e7a002-15
0.398
RUB-POS-1325a9ea-22
0.397
MAT-POS-bb423b95-9
0.395
MAT-POS-bb423b95-4
0.395
ALP-POS-95b75b4d-5
0.395
EDG-MED-0da5ad92-14
0.395
AGN-NEW-c7b24fe3-1
0.392
NAU-LAT-e1818702-1
0.392
JAN-GHE-f4ca5a00-12
0.392
PET-UNK-f92d7c0c-4
0.392
PET-UNK-f92d7c0c-5
0.392
JOH-UNI-ee5ed7c8-11
0.391
JOH-UNI-3fc3434e-11
0.391
JIN-POS-6dc588a4-17
0.390
EDJ-MED-c8e7a002-13
0.390
JIN-POS-6dc588a4-13
0.390
PET-UNK-b1ef24dc-1
0.390
TRY-UNI-714a760b-6
0.390
EDJ-MED-c8e7a002-6
0.388
MAT-POS-bb423b95-5
0.388
JIN-POS-6dc588a4-3
0.388
PET-UNK-8df914d1-5
0.388
EDJ-MED-c8e7a002-10
0.386
PET-UNK-b1ef24dc-4
0.386
JAN-GHE-5a013bed-3
0.386
ABI-SAT-4d06482b-2
0.385
EDG-MED-0da5ad92-18
0.385