Molecular Properties | |
SMILES: | O=C(Cc1cccc(Cl)c1)Nc1cnccc1C(F)(F)F |
MW: | 314.04 |
Fraction sp3: | 0.14 |
HBA: | 2 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 41.99 |
cLogP: | 3.94 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine REAL: | s_11____12864872____3020516 |
Enamine Extended REAL: | s_11____12864872____3020516 |
Activity Data | |
IC50 (µM) - Fluorescence: | 18.1606601875142 |
Order Status | |
Ordered: | 2021-03-23 |
Synthesis Location: | enamine |
Shipped: | 2021-04-07 |
high halogen content (>3)
JIN-POS-6dc588a4-4
1.000
RUB-POS-1325a9ea-19
0.746
SAM-UNK-2684b532-13
0.651
ALP-POS-95b75b4d-8
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ALP-POS-95b75b4d-6
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JOH-UNI-abfda500-5
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ANN-UNI-98d2bf15-3
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TRY-UNI-714a760b-6
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SAM-UNK-2684b532-11
0.594
JOH-UNI-abfda500-4
0.588
ALP-POS-95b75b4d-7
0.586
MIC-UNK-668ac5de-1
0.581
MAK-UNK-6ca90168-23
0.580
MAT-POS-bb423b95-5
0.571
JIN-POS-6dc588a4-3
0.571
JIN-POS-6dc588a4-6
0.569
MAT-POS-bb423b95-3
0.569
ALP-POS-0c2c77e1-1
0.569
ALP-POS-95b75b4d-5
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MAT-POS-bb423b95-4
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SAM-UNK-2684b532-6
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JAN-GHE-5a013bed-10
0.537
MAT-POS-bb423b95-1
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JOH-UNI-ee5ed7c8-3
0.532
JOH-UNI-3fc3434e-3
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MAT-POS-f7918075-5
0.520
PET-UNK-8df914d1-3
0.514
MAT-POS-bb423b95-9
0.514
ABI-SAT-4d06482b-2
0.507
JIN-POS-6dc588a4-13
0.507
JIN-POS-6dc588a4-22
0.507
JAN-GHE-5a013bed-8
0.500
TRY-UNI-714a760b-3
0.500
MIC-UNK-50cce87d-1
0.500
EDG-MED-0da5ad92-2
0.500
RUB-POS-1325a9ea-2
0.500
MAT-POS-f7918075-3
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MIC-UNK-08cd9c58-1
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EDJ-MED-6ab52e52-1
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MIC-UNK-50cce87d-2
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MIC-UNK-51049f1a-6
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RUB-POS-1325a9ea-13
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EDG-MED-0da5ad92-16
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EDG-MED-0da5ad92-21
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MIC-UNK-51049f1a-5
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JIN-POS-6dc588a4-10
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RUB-POS-1325a9ea-3
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PET-UNK-b1ef24dc-4
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MIC-UNK-50cce87d-3
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MAT-POS-199e2e7c-1
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MAT-POS-bb423b95-2
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EDJ-MED-c5ca5386-1
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RUB-POS-1325a9ea-5
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PET-UNK-b1ef24dc-3
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ADA-UCB-6c2cb422-1
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EDG-MED-0da5ad92-14
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JAN-GHE-5a013bed-11
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MAT-POS-90fd5f68-6
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MIC-UNK-7574fcc6-1
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EDJ-MED-a364e151-2
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JIN-POS-6dc588a4-11
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EDJ-MED-a364e151-1
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RUB-POS-1325a9ea-15
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RUB-POS-1325a9ea-8
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EDJ-MED-c8e7a002-12
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JAN-GHE-5a013bed-9
0.471
MAT-POS-90fd5f68-23
0.471
EDJ-MED-976da9a6-1
0.469
JIN-POS-6dc588a4-20
0.469
MAT-POS-c20a539d-4
0.469
PET-UNK-e274cad4-1
0.468
JIN-POS-6dc588a4-18
0.468
RUB-POS-1325a9ea-4
0.468
RUB-POS-1325a9ea-14
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MIC-UNK-50cce87d-4
0.468
RUB-POS-1325a9ea-9
0.468
PET-UNK-b1ef24dc-1
0.468
PET-UNK-b1ef24dc-2
0.468
EDJ-MED-a364e151-3
0.468
PET-UNK-e274cad4-6
0.468
RUB-POS-1325a9ea-12
0.468
PET-UNK-7f7e354d-7
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JAN-GHE-83b26c96-14
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ALP-POS-95b75b4d-3
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DAR-DIA-0cde14eb-76
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MAT-POS-90fd5f68-5
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MAT-POS-90fd5f68-24
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MIC-UNK-f2576da4-1
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MAT-POS-90fd5f68-37
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MAT-POS-90fd5f68-38
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MAT-POS-29385cc1-4
0.463
PET-UNK-6314f867-3
0.463
EDJ-MED-076d6e64-1
0.462
MAT-POS-bb423b95-8
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JIN-POS-6dc588a4-14
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EDJ-MED-c8e7a002-16
0.462
RUB-POS-1325a9ea-11
0.462
JIN-POS-6dc588a4-12
0.462
EDG-MED-0da5ad92-17
0.459
AGN-NEW-c7b24fe3-4
0.459