Molecule Details
| Molecular Properties | |
| SMILES: | O=C(Cc1cccc(Cl)c1)Nc1c(Cl)ncn2c(O)nnc12 |
| MW: | 337.01 |
| Fraction sp3: | 0.08 |
| HBA: | 6 |
| HBD: | 2 |
| Rotatable Bonds: | 3 |
| TPSA: | 92.41 |
| cLogP: | 2.32 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Order Status | |
| Ordered: | 2020-09-29 |
| Synthesis Location: | enamine |
| Shipped: | synthesis in progress |
α-Halogen substituted N-heterocycles
4-halopyridine
2-halopyridine
halo-pyridine,_-diazoles_and_-triazoles
JAG-UCB-52b62a6f-1
EDJ-MED-7bb79bc5-1
0.689
EDJ-MED-c8e7a002-7
0.573
EDJ-MED-c8e7a002-8
0.573
EDJ-MED-97c1bf5c-1
0.524
EDJ-MED-49816e9b-2
0.459
EDJ-MED-97c1bf5c-2
0.459
EDJ-MED-c8e7a002-4
0.446
EDG-MED-0da5ad92-18
0.442
NAU-LAT-e1818702-7
0.440
VLA-UNK-411a133b-1
0.440
JAG-UCB-a3ef7265-15
0.440
JAG-UCB-a3ef7265-17
0.440
RUB-POS-1325a9ea-18
0.439
NAU-LAT-e1818702-10
0.438
JAN-GHE-5a013bed-7
0.438
JAG-UCB-52b62a6f-1
0.435
JOH-UNI-6fede743-2
0.434
JAN-GHE-5a013bed-11
0.432
EDJ-MED-b24713dc-4
0.429
NAU-LAT-e1818702-9
0.427
NAU-LAT-e1818702-8
0.427
JOH-UNI-6fede743-4
0.427
VLA-UNK-411a133b-2
0.427
JIN-POS-6dc588a4-21
0.422
EDJ-MED-6e43a462-6
0.422
PET-UNK-8df914d1-4
0.421
EDG-MED-0da5ad92-13
0.421
SAM-UNK-2684b532-13
0.421
ALP-POS-95b75b4d-8
0.421
PET-UNK-e44ffd04-1
0.420
BEN-DND-02317c5c-8
0.420
NAU-LAT-a5c7d7cb-12
0.420
JOH-UNI-6fede743-5
0.419
EDG-MED-0da5ad92-14
0.416
ALP-POS-95b75b4d-6
0.416
EDJ-MED-49816e9b-5
0.416
EDJ-MED-50fe53e8-3
0.415
PET-UNK-8df914d1-2
0.415
PET-UNK-158bee2a-4
0.413
JAN-GHE-5a013bed-8
0.413
NAU-LAT-e1818702-1
0.412
JAN-GHE-f4ca5a00-12
0.412
AGN-NEW-c7b24fe3-1
0.412
EDG-MED-0da5ad92-15
0.410
EDJ-MED-50fe53e8-4
0.410
BEN-DND-02317c5c-9
0.410
JAN-GHE-5a013bed-10
0.408
JAN-GHE-5a013bed-9
0.405
JAN-GHE-5a013bed-6
0.405
PET-UNK-158bee2a-2
0.405
EDJ-MED-076d6e64-1
0.405
JAN-GHE-5a013bed-5
0.403
EDJ-MED-b24713dc-2
0.402
EDJ-MED-6e43a462-2
0.402
EDJ-MED-6e43a462-8
0.400
AGN-NEW-c7b24fe3-5
0.400
RUB-POS-1325a9ea-8
0.400
AGN-NEW-c7b24fe3-4
0.400
EDJ-MED-6e43a462-1
0.398
EDJ-MED-6e43a462-9
0.398
EDJ-MED-49816e9b-3
0.397
JOH-UNI-ee5ed7c8-8
0.395
JOH-UNI-3fc3434e-8
0.395
EDG-MED-0da5ad92-2
0.395
MIC-UNK-66895286-1
0.395
JIN-POS-6dc588a4-17
0.393
BEN-DND-1e24cf73-3
0.393
SAM-UNK-2684b532-11
0.390
JIN-POS-6dc588a4-4
0.390
SAM-UNK-2684b532-12
0.390
PET-UNK-8df914d1-5
0.390
JAN-GHE-5a013bed-1
0.390
EDJ-MED-6e43a462-4
0.388
JOH-UNI-6fede743-1
0.388
EDJ-MED-6e43a462-5
0.388
ABI-SAT-4d06482b-2
0.388
EDG-MED-0da5ad92-16
0.385
PET-UNK-158bee2a-3
0.385
EDG-MED-0da5ad92-21
0.385
EDJ-MED-6e43a462-3
0.384
EDJ-MED-6e43a462-10
0.384
EDJ-MED-b24713dc-1
0.384
EDJ-MED-b24713dc-3
0.384
ANN-UNI-98d2bf15-3
0.383
VLA-UNK-4cf5aa07-1
0.383
EDG-MED-0da5ad92-17
0.383
JOH-UNI-abfda500-5
0.383
PET-UNK-158bee2a-1
0.383
MAT-POS-14ad9fe9-1
0.382
BEN-DND-1e24cf73-1
0.381
JIN-POS-6dc588a4-9
0.381
EDG-MED-0da5ad92-12
0.380
EDJ-MED-6e43a462-12
0.379
EDJ-MED-6e43a462-11
0.379
VLA-UNK-4cf5aa07-2
0.378
JOH-UNI-ee5ed7c8-11
0.378
JOH-UNI-3fc3434e-11
0.378
BEN-DND-1e24cf73-6
0.378
BEN-DND-1e24cf73-7
0.378
PET-UNK-7f7e354d-7
0.376