Molecule Details
| Molecular Properties | |
| SMILES: | O=C(Cc1cccc(Cl)c1)Nc1cncc2c1NCCC2 |
| MW: | 301.1 |
| Fraction sp3: | 0.25 |
| HBA: | 3 |
| HBD: | 2 |
| Rotatable Bonds: | 3 |
| TPSA: | 54.02 |
| cLogP: | 3.27 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Activity Data | |
| IC50 (µM) - Fluorescence: | 37.9977889365768 |
| Order Status | |
| Ordered: | 2021-03-23 |
| Synthesis Location: | enamine |
| Shipped: | 2021-05-18 |
ADA-UCB-6c2cb422-1
MAT-POS-199e2e7c-1
0.577
EDJ-MED-a364e151-1
0.570
MAT-POS-14ad9fe9-1
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EDJ-MED-976da9a6-1
0.524
SAM-UNK-2684b532-13
0.507
ALP-POS-95b75b4d-8
0.507
ALP-POS-95b75b4d-6
0.500
JAN-GHE-5a013bed-10
0.493
MAT-POS-bb423b95-4
0.476
ALP-POS-95b75b4d-5
0.476
MAK-UNK-6ca90168-23
0.475
PET-UNK-8df914d1-3
0.474
TRY-UNI-714a760b-6
0.474
EDJ-MED-976da9a6-2
0.471
MAT-POS-f7918075-7
0.471
RUB-POS-1325a9ea-1
0.471
PET-UNK-b1ef24dc-2
0.470
JIN-POS-6dc588a4-3
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JIN-POS-6dc588a4-4
0.469
SAM-UNK-2684b532-12
0.469
PET-UNK-b1ef24dc-4
0.464
JIN-POS-6dc588a4-12
0.464
ADA-UCB-6c2cb422-1
0.463
ALP-POS-95b75b4d-7
0.463
JOH-UNI-abfda500-5
0.463
JOH-UNI-abfda500-4
0.463
ANN-UNI-98d2bf15-3
0.463
TRY-UNI-714a760b-3
0.463
MIC-UNK-08cd9c58-1
0.459
MAT-POS-f7918075-3
0.459
EDJ-MED-a364e151-2
0.459
MIC-UNK-7574fcc6-1
0.459
MAT-POS-bb423b95-1
0.458
MAT-POS-bb423b95-9
0.458
JAN-GHE-5a013bed-9
0.453
PET-UNK-7f7e354d-7
0.452
EDJ-MED-a364e151-3
0.452
RUB-POS-1325a9ea-12
0.452
RUB-POS-1325a9ea-13
0.452
PET-UNK-b1ef24dc-1
0.452
JIN-POS-6dc588a4-13
0.452
MAT-POS-bb423b95-5
0.451
RUB-POS-1325a9ea-19
0.451
SAM-UNK-2684b532-11
0.451
ABI-SAT-4d06482b-2
0.450
EDG-MED-0da5ad92-21
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MAT-POS-bb423b95-2
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JIN-POS-6dc588a4-14
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JIN-POS-6dc588a4-10
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RUB-POS-1325a9ea-2
0.447
RUB-POS-1325a9ea-11
0.447
MAT-POS-f7918075-5
0.447
MIC-UNK-50cce87d-1
0.447
MAT-POS-f7918075-8
0.442
MAT-POS-f7918075-4
0.442
MIC-UNK-8971c93c-1
0.442
JAN-GHE-5a013bed-8
0.442
EDJ-MED-6ab52e52-1
0.440
MIC-UNK-51049f1a-6
0.440
MIC-UNK-50cce87d-2
0.440
PET-UNK-6314f867-2
0.438
MAT-POS-c20a539d-5
0.438
RUB-POS-1325a9ea-9
0.437
MIC-UNK-50cce87d-4
0.437
ALP-POS-0c2c77e1-1
0.435
MAT-POS-bb423b95-3
0.435
JIN-POS-6dc588a4-6
0.435
JIN-POS-6dc588a4-22
0.435
PET-UNK-e274cad4-6
0.435
MAT-POS-29385cc1-4
0.432
MAT-POS-90fd5f68-38
0.432
EDG-MED-0da5ad92-16
0.430
RUB-POS-1325a9ea-5
0.430
EDJ-MED-c5ca5386-1
0.430
MIC-UNK-d935700b-2
0.430
MIC-UNK-50cce87d-3
0.430
PET-UNK-b1ef24dc-3
0.430
MAT-POS-bb423b95-8
0.430
RUB-POS-1325a9ea-3
0.430
PET-UNK-d899bab6-2
0.429
PET-UNK-8df914d1-1
0.427
JOH-UNI-3fc3434e-3
0.427
JOH-UNI-ee5ed7c8-3
0.427
EDJ-MED-00c1612e-1
0.427
MAT-POS-90fd5f68-1
0.427
JIN-POS-6dc588a4-11
0.425
RUB-POS-1325a9ea-8
0.425
RUB-POS-1325a9ea-15
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EDG-MED-0da5ad92-14
0.425
EDJ-MED-c8e7a002-12
0.424
EDG-MED-0da5ad92-2
0.423
EDJ-MED-239d8ca5-1
0.422
PET-UNK-e274cad4-1
0.420
MAT-POS-c20a539d-6
0.420
RUB-POS-1325a9ea-4
0.420
MAT-POS-29385cc1-3
0.420
JIN-POS-6dc588a4-18
0.420
MAT-POS-90fd5f68-40
0.420
RUB-POS-1325a9ea-14
0.420
EDG-MED-0da5ad92-15
0.420