Molecule Details
| Molecular Properties | |
| SMILES: | O=C(Cc1cccc(Cl)c1)Nc1cncc2nccnc12 |
| MW: | 298.06 |
| Fraction sp3: | 0.07 |
| HBA: | 4 |
| HBD: | 1 |
| Rotatable Bonds: | 3 |
| TPSA: | 67.77 |
| cLogP: | 2.86 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Activity Data | |
| IC50 (µM) - Fluorescence: | 76.0415338327822 |
| Order Status | |
| Ordered: | 2021-03-23 |
| Synthesis Location: | enamine |
| Shipped: | 2021-03-24 |
ADA-UCB-6c2cb422-1
MAT-POS-bb423b95-2
0.595
MAT-POS-f7918075-3
0.566
MIC-UNK-08cd9c58-1
0.566
RUB-POS-1325a9ea-11
0.553
MAT-POS-f7918075-8
0.545
ALP-POS-95b75b4d-6
0.535
JAN-GHE-5a013bed-10
0.529
SAM-UNK-2684b532-13
0.521
ALP-POS-95b75b4d-8
0.521
TRY-UNI-714a760b-6
0.507
PET-UNK-8df914d1-3
0.507
MAT-POS-bb423b95-1
0.506
PET-UNK-b1ef24dc-2
0.500
ABI-SAT-4d06482b-2
0.500
SID-ELM-2583a2cd-11
0.500
JIN-POS-6dc588a4-3
0.500
PET-UNK-7f7e354d-7
0.500
ALP-POS-95b75b4d-7
0.494
ANN-UNI-98d2bf15-3
0.493
JOH-UNI-abfda500-4
0.493
TRY-UNI-714a760b-3
0.493
JOH-UNI-abfda500-5
0.493
JAN-GHE-5a013bed-8
0.493
RUB-POS-1325a9ea-8
0.487
MAT-POS-bb423b95-4
0.487
ALP-POS-95b75b4d-5
0.487
MAK-UNK-6ca90168-23
0.487
MAT-POS-14ad9fe9-1
0.482
JIN-POS-6dc588a4-18
0.481
EDJ-MED-a364e151-3
0.481
JIN-POS-6dc588a4-13
0.481
PET-UNK-b1ef24dc-1
0.481
JIN-POS-6dc588a4-6
0.481
JIN-POS-6dc588a4-4
0.481
SAM-UNK-2684b532-12
0.481
MAT-POS-bb423b95-5
0.481
RUB-POS-1325a9ea-19
0.481
SAM-UNK-2684b532-11
0.481
MIC-UNK-668ac5de-1
0.476
MAT-POS-f7918075-5
0.475
ADA-UCB-6c2cb422-1
0.474
SID-ELM-2583a2cd-3
0.474
AGN-NEW-c7b24fe3-5
0.474
EDG-MED-0da5ad92-17
0.474
EDG-MED-0da5ad92-14
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JIN-POS-6dc588a4-23
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MAT-POS-bb423b95-9
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MIC-UNK-50cce87d-2
0.468
EDJ-MED-6ab52e52-1
0.468
MIC-UNK-51049f1a-6
0.468
AGN-NEW-c7b24fe3-1
0.468
MAT-POS-c20a539d-1
0.464
MAT-POS-f7918075-7
0.463
RUB-POS-1325a9ea-1
0.463
MIC-UNK-50cce87d-4
0.463
RUB-POS-1325a9ea-9
0.463
PET-UNK-e274cad4-6
0.463
ALP-POS-0c2c77e1-1
0.463
JIN-POS-6dc588a4-22
0.463
RUB-POS-1325a9ea-13
0.463
RUB-POS-1325a9ea-12
0.463
MAT-POS-bb423b95-3
0.463
EDG-MED-0da5ad92-21
0.459
EDG-MED-0da5ad92-16
0.459
JOH-UNI-ee5ed7c8-1
0.459
JOH-UNI-3fc3434e-1
0.459
PET-UNK-f4e47ebd-2
0.459
PET-UNK-f4e47ebd-1
0.459
MAT-POS-c20a539d-2
0.458
MAT-POS-199e2e7c-1
0.457
MAT-POS-bb423b95-8
0.457
MIC-UNK-50cce87d-3
0.457
RUB-POS-1325a9ea-5
0.457
JIN-POS-6dc588a4-14
0.457
JIN-POS-6dc588a4-12
0.457
RUB-POS-1325a9ea-2
0.457
PET-UNK-b1ef24dc-4
0.457
EDJ-MED-c5ca5386-1
0.457
EDJ-MED-076d6e64-1
0.457
PET-UNK-b1ef24dc-3
0.457
MIC-UNK-50cce87d-1
0.457
RUB-POS-1325a9ea-3
0.457
AGN-NEW-c7b24fe3-4
0.455
EDG-MED-0da5ad92-12
0.453
EDJ-MED-00c1612e-1
0.452
PET-UNK-8df914d1-1
0.452
EDG-MED-0da5ad92-2
0.452
EDJ-MED-a364e151-2
0.451
MIC-UNK-8971c93c-1
0.451
MAT-POS-f7918075-4
0.451
MIC-UNK-7574fcc6-1
0.451
EDJ-MED-a364e151-1
0.451
JIN-POS-6dc588a4-11
0.451
RUB-POS-1325a9ea-15
0.451
MAT-POS-c20a539d-4
0.447
JIN-POS-6dc588a4-20
0.447
MAT-POS-90fd5f68-7
0.447
EDJ-MED-239d8ca5-1
0.447
MAT-POS-c0609ef7-1
0.447
MAT-POS-29385cc1-3
0.446