Molecule Details
| Molecular Properties | |
| SMILES: | O=C(Cc1cccc(Cl)c1)Nc1c[nH]c2ccccc12 |
| MW: | 284.07 |
| Fraction sp3: | 0.06 |
| HBA: | 1 |
| HBD: | 2 |
| Rotatable Bonds: | 3 |
| TPSA: | 44.89 |
| cLogP: | 4.0 |
| 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
ROB-UNI-daaf9793-1
0.614
MAT-POS-e1b5ac6b-1
0.614
JIN-POS-6dc588a4-19
0.609
MAT-POS-bb423b95-6
0.609
JOH-UNI-6fede743-3
0.609
NAU-LAT-a5c7d7cb-10
0.521
EDJ-MED-c8e7a002-11
0.521
MAT-POS-f7918075-6
0.487
EDJ-MED-50fe53e8-2
0.487
JIN-POS-6dc588a4-12
0.481
VLA-UCB-00f2c2b3-7
0.480
ADA-UCB-6c2cb422-1
0.480
JIN-POS-6dc588a4-23
0.474
RUB-POS-1325a9ea-17
0.474
MAT-POS-4211dce8-1
0.474
JAN-GHE-5a013bed-10
0.471
EDG-MED-0da5ad92-21
0.465
ALP-POS-95b75b4d-8
0.465
SAM-UNK-2684b532-13
0.465
JOH-UNI-6fede743-1
0.462
JIN-POS-6dc588a4-24
0.462
VLA-UNK-4cf5aa07-1
0.459
PET-UNK-158bee2a-1
0.459
PET-UNK-158bee2a-4
0.457
VLA-UNK-4cf5aa07-2
0.453
RUB-POS-1325a9ea-13
0.449
EDG-MED-0da5ad92-16
0.444
JIN-POS-6dc588a4-21
0.443
RUB-POS-1325a9ea-5
0.443
JOH-UNI-abfda500-5
0.440
ANT-OPE-ab37bd51-1
0.440
JOH-UNI-abfda500-4
0.440
ANN-UNI-98d2bf15-3
0.440
ALP-POS-95b75b4d-6
0.438
EDG-MED-0da5ad92-14
0.438
MIC-UNK-66895286-1
0.437
MAT-POS-bb423b95-1
0.436
JIN-POS-6dc588a4-7
0.436
MAT-POS-bb423b95-9
0.436
EDJ-MED-c8e7a002-12
0.436
MAK-UNK-6ca90168-23
0.434
PET-UNK-8df914d1-3
0.432
TRY-UNI-714a760b-6
0.432
PET-UNK-7f7e354d-7
0.430
JIN-POS-6dc588a4-13
0.430
NAU-LAT-a5c7d7cb-11
0.430
SAM-UNK-2684b532-12
0.429
JIN-POS-6dc588a4-4
0.429
MIC-UNK-d935700b-1
0.429
JAN-GHE-5a013bed-9
0.429
ABI-SAT-4d06482b-2
0.427
MAT-POS-199e2e7c-1
0.425
MAT-POS-bb423b95-8
0.425
RUB-POS-1325a9ea-18
0.425
JIN-POS-6dc588a4-14
0.425
VLA-UNK-411a133b-1
0.425
JIN-POS-6dc588a4-8
0.423
NAU-LAT-e1818702-10
0.423
JAN-GHE-5a013bed-7
0.423
AGN-NEW-c7b24fe3-5
0.421
AGN-NEW-c7b24fe3-4
0.421
TRY-UNI-714a760b-3
0.421
EDG-MED-0da5ad92-17
0.421
MIC-UNK-08cd9c58-1
0.420
MAT-POS-f7918075-3
0.420
EDJ-MED-a364e151-1
0.420
MAT-POS-f7918075-4
0.420
RUB-POS-1325a9ea-15
0.420
MIC-UNK-8971c93c-1
0.420
MAT-POS-f7918075-8
0.420
EDJ-MED-49816e9b-5
0.419
EDJ-MED-49816e9b-3
0.419
ALP-POS-95b75b4d-5
0.418
MAT-POS-bb423b95-4
0.418
JIN-POS-6dc588a4-9
0.418
JAN-GHE-5a013bed-11
0.417
EDG-MED-0da5ad92-2
0.417
JIN-POS-6dc588a4-20
0.417
AGN-NEW-c7b24fe3-1
0.416
RUB-POS-1325a9ea-1
0.415
JIN-POS-6dc588a4-18
0.415
MAT-POS-f7918075-7
0.415
RUB-POS-1325a9ea-4
0.415
JOH-UNI-6fede743-4
0.412
MAT-POS-3cc264b0-1
0.412
PET-UNK-b1ef24dc-2
0.412
ALP-POS-0c2c77e1-1
0.412
EDJ-MED-50fe53e8-1
0.412
JIN-POS-6dc588a4-22
0.412
RUB-POS-1325a9ea-12
0.412
MAT-POS-bb423b95-3
0.412
VLA-UNK-411a133b-2
0.411
RUB-POS-1325a9ea-19
0.410
JIN-POS-6dc588a4-3
0.410
SAM-UNK-2684b532-11
0.410
MAT-POS-bb423b95-5
0.410
PET-UNK-158bee2a-2
0.408
JAN-GHE-5a013bed-6
0.408
PET-UNK-b1ef24dc-3
0.407
MIC-UNK-d935700b-2
0.407