Molecule Details
| Molecular Properties | |
| SMILES: | O=C(Cc1cccc(Cl)c1)Nc1cccc2[nH]ncc12 |
| MW: | 285.07 |
| Fraction sp3: | 0.07 |
| HBA: | 2 |
| HBD: | 2 |
| Rotatable Bonds: | 3 |
| TPSA: | 57.78 |
| cLogP: | 3.4 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Source | |
| Mcule Ultimate: | CYQCEAJKJVOFMS-UHFFFAOYSA-N |
| Activity Data | |
| IC50 (µM) - Fluorescence: | 99.5 |
| IC50 (µM) - RapidFire: | 23.6029100682607 |
| Order Status | |
| Ordered: | 2020-06-20 |
| Synthesis Location: | mcule |
| Shipped: | 2020-08-12 |
![O=C(Cc1cccc(Cl)c1)Nc1cncc2[nH]ncc12](/static/images/loading.7a8cbb7079d7.gif)
RUB-POS-1325a9ea-13
0.629
EDG-MED-0da5ad92-21
0.567
MAT-POS-199e2e7c-2
0.554
EDJ-MED-c8e7a002-12
0.548
MIC-UNK-d935700b-1
0.521
RUB-POS-1325a9ea-12
0.520
EDG-MED-0da5ad92-16
0.500
MIC-UNK-d935700b-2
0.494
TRY-UNI-714a760b-6
0.486
JAN-GHE-5a013bed-10
0.486
PET-UNK-7f7e354d-7
0.481
JIN-POS-6dc588a4-5
0.480
SAM-UNK-2684b532-13
0.479
ALP-POS-95b75b4d-8
0.479
JIN-POS-6dc588a4-12
0.474
NAU-LAT-a5c7d7cb-10
0.474
EDJ-MED-c8e7a002-11
0.474
EDG-MED-0da5ad92-17
0.473
ALP-POS-95b75b4d-6
0.472
EDG-MED-0da5ad92-14
0.472
MIC-UNK-66895286-1
0.471
AGN-NEW-c7b24fe3-1
0.467
PET-UNK-8df914d1-3
0.466
JAN-GHE-5a013bed-9
0.464
ROB-UNI-daaf9793-1
0.462
MAT-POS-e1b5ac6b-1
0.462
MAT-POS-bb423b95-5
0.461
SAM-UNK-2684b532-11
0.461
ABI-SAT-4d06482b-2
0.459
VLA-UNK-411a133b-1
0.458
EDJ-MED-c8e7a002-16
0.456
JOH-UNI-6fede743-1
0.456
PET-UNK-b1ef24dc-3
0.456
ADA-UCB-6c2cb422-1
0.455
ANN-UNI-98d2bf15-3
0.453
JOH-UNI-abfda500-5
0.453
JOH-UNI-abfda500-4
0.453
TRY-UNI-714a760b-3
0.453
AGN-NEW-c7b24fe3-4
0.453
AGN-NEW-c7b24fe3-5
0.453
JAN-GHE-5a013bed-11
0.451
JIN-POS-6dc588a4-23
0.450
MAT-POS-f7918075-4
0.450
MIC-UNK-8971c93c-1
0.450
RUB-POS-1325a9ea-17
0.449
MAT-POS-bb423b95-1
0.449
MAT-POS-bb423b95-9
0.449
MAK-UNK-6ca90168-23
0.447
EDJ-MED-976da9a6-1
0.446
MAT-POS-29385cc1-3
0.444
MAT-POS-c20a539d-6
0.444
VLA-UNK-411a133b-2
0.444
EDJ-MED-50fe53e8-2
0.443
MAT-POS-f7918075-6
0.443
JIN-POS-6dc588a4-22
0.443
EDJ-MED-a364e151-3
0.443
PET-UNK-e274cad4-6
0.443
PET-UNK-b1ef24dc-1
0.443
JIN-POS-6dc588a4-13
0.443
JAN-GHE-5a013bed-6
0.443
JIN-POS-6dc588a4-3
0.442
SAM-UNK-2684b532-12
0.442
RUB-POS-1325a9ea-19
0.442
JIN-POS-6dc588a4-4
0.442
RUB-POS-1325a9ea-5
0.438
MAT-POS-bb423b95-8
0.438
EDJ-MED-c8e7a002-9
0.438
RUB-POS-1325a9ea-11
0.438
JIN-POS-6dc588a4-14
0.438
MAT-POS-f7918075-5
0.438
EDJ-MED-076d6e64-1
0.438
PET-UNK-b1ef24dc-4
0.438
JIN-POS-6dc588a4-24
0.438
MAT-POS-199e2e7c-1
0.438
MAT-POS-bb423b95-6
0.436
JIN-POS-6dc588a4-19
0.436
JOH-UNI-6fede743-3
0.436
ALP-POS-95b75b4d-7
0.436
EDG-MED-0da5ad92-12
0.432
EDJ-MED-a364e151-1
0.432
MAT-POS-f7918075-8
0.432
MIC-UNK-08cd9c58-1
0.432
JIN-POS-6dc588a4-11
0.432
EDJ-MED-a364e151-2
0.432
MAT-POS-f7918075-3
0.432
RUB-POS-1325a9ea-8
0.432
RUB-POS-1325a9ea-15
0.432
EDG-MED-0da5ad92-2
0.431
JAN-GHE-5a013bed-8
0.431
EDJ-MED-6ab52e52-1
0.430
ALP-POS-95b75b4d-5
0.430
MIC-UNK-50cce87d-2
0.430
MAT-POS-bb423b95-4
0.430
JIN-POS-6dc588a4-9
0.430
MAT-POS-c20a539d-3
0.430
MAT-POS-c0609ef7-1
0.429
MAT-POS-90fd5f68-40
0.427
JIN-POS-6dc588a4-18
0.427
RUB-POS-1325a9ea-4
0.427
MAT-POS-f7918075-7
0.427