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
JAG-UCB-a3ef7265-17
0.440
JAG-UCB-a3ef7265-15
0.440
NAU-LAT-e1818702-10
0.438
JAN-GHE-5a013bed-7
0.438
JAG-UCB-52b62a6f-1
0.435
JAN-GHE-5a013bed-11
0.432
NAU-LAT-e1818702-9
0.427
NAU-LAT-e1818702-8
0.427
PET-UNK-8df914d1-4
0.421
SAM-UNK-2684b532-13
0.421
EDG-MED-0da5ad92-13
0.421
ALP-POS-95b75b4d-8
0.421
NAU-LAT-a5c7d7cb-12
0.420
PET-UNK-e44ffd04-1
0.420
EDG-MED-0da5ad92-14
0.416
EDJ-MED-49816e9b-5
0.416
ALP-POS-95b75b4d-6
0.416
PET-UNK-8df914d1-2
0.415
EDJ-MED-50fe53e8-3
0.415
JAN-GHE-5a013bed-8
0.413
NAU-LAT-e1818702-1
0.412
AGN-NEW-c7b24fe3-1
0.412
JAN-GHE-f4ca5a00-12
0.412
EDG-MED-0da5ad92-15
0.410
EDJ-MED-50fe53e8-4
0.410
JAN-GHE-5a013bed-10
0.408
JAN-GHE-5a013bed-6
0.405
JAN-GHE-5a013bed-9
0.405
JAN-GHE-5a013bed-5
0.403
AGN-NEW-c7b24fe3-5
0.400
AGN-NEW-c7b24fe3-4
0.400
EDJ-MED-49816e9b-3
0.397
EDG-MED-0da5ad92-2
0.395
MIC-UNK-66895286-1
0.395
PET-UNK-8df914d1-5
0.390
SAM-UNK-2684b532-11
0.390
SAM-UNK-2684b532-12
0.390
JAN-GHE-5a013bed-1
0.390
ABI-SAT-4d06482b-2
0.388
EDG-MED-0da5ad92-16
0.385
EDG-MED-0da5ad92-21
0.385
ANN-UNI-98d2bf15-3
0.383
EDG-MED-0da5ad92-17
0.383
MAT-POS-14ad9fe9-1
0.382
EDG-MED-0da5ad92-12
0.380
NAU-LAT-a5c7d7cb-11
0.376
TRY-UNI-714a760b-6
0.375
EDJ-MED-c8e7a002-3
0.375
EDJ-MED-c8e7a002-6
0.375
PET-UNK-8df914d1-3
0.375
MAT-POS-bb423b95-8
0.372
EDJ-MED-c8e7a002-1
0.371
NAU-LAT-a5c7d7cb-10
0.369
EDJ-MED-c8e7a002-11
0.369
VLA-UCB-00f2c2b3-7
0.369
ALP-POS-3b848b35-3
0.369
EDJ-MED-c8e7a002-2
0.368
JAN-GHE-5a013bed-4
0.367
TRY-UNI-714a760b-3
0.366
EDJ-MED-c8e7a002-12
0.365
MAT-POS-f7918075-7
0.364
MAK-UNK-6ca90168-23
0.361
ALP-POS-0c2c77e1-1
0.360
EDJ-MED-c8e7a002-13
0.360
EDJ-MED-c8e7a002-14
0.360
MAT-POS-f7918075-6
0.360
MAT-POS-3cc264b0-1
0.360
MAT-POS-bb423b95-3
0.360
EDJ-MED-50fe53e8-1
0.360
EDJ-MED-50fe53e8-2
0.360
JAN-GHE-5a013bed-2
0.357
MAT-POS-bb423b95-5
0.357
JAN-GHE-f4ca5a00-16
0.357
EDJ-MED-c8e7a002-16
0.356
EDJ-MED-c8e7a002-10
0.356
EDJ-MED-c8e7a002-9
0.356
MAT-POS-199e2e7c-1
0.356
MAT-POS-bb423b95-2
0.356
MAT-POS-199e2e7c-2
0.356
PET-UNK-8df914d1-1
0.356
EDJ-MED-00c1612e-1
0.356
ADA-UCB-6c2cb422-1
0.353
MAT-POS-bb423b95-6
0.353
JAN-GHE-f4ca5a00-14
0.353
ALP-POS-95b75b4d-7
0.353
MIC-UNK-08cd9c58-1
0.352
EDJ-MED-c8e7a002-15
0.352
EDJ-MED-a364e151-1
0.352
MAT-POS-f7918075-3
0.352
MAT-POS-f7918075-8
0.352
MAT-POS-4211dce8-1
0.349