Molecular Properties | |
SMILES: | CNC(=O)CN1CC2(CCN(c3cncc4cc(F)ccc34)C2=O)c2cc(Cl)ccc2C1=O |
MW: | 466.12 |
Fraction sp3: | 0.25 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 82.61 |
cLogP: | 2.9 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 0.425927070087397 |
Order Status | |
Ordered: | 2021-10-29 |
Synthesis Location: | enamine |
Shipped: | 2021-12-13 |
EDJ-MED-8bb691af-4
EDG-MED-b1ef7fe3-4
0.830
EDG-MED-b1ef7fe3-2
0.770
EDJ-MED-b6c6ee2b-6
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LUO-POS-9931618f-1
0.755
LUO-POS-9931618f-2
0.755
EDJ-MED-8bb691af-8
0.755
PET-UNK-14142a25-1
0.755
MIK-ENA-37e0b697-1
0.755
MIK-ENA-794411b8-1
0.755
PET-UNK-14142a25-10
0.755
EDJ-MED-7d88f880-1
0.750
EDG-MED-b1ef7fe3-1
0.720
LUO-POS-8c3e556a-1
0.720
LUO-POS-8c3e556a-2
0.720
PET-UNK-c6bcc80b-6
0.697
PET-UNK-c6bcc80b-13
0.697
MAT-POS-38eb6498-6
0.673
MAT-POS-ddfe83c6-1
0.673
PET-UNK-14142a25-2
0.645
PET-UNK-14142a25-11
0.645
JOH-MSK-4bb3d434-1
0.642
EDJ-MED-33064c06-3
0.640
MAT-POS-853c0ffa-1
0.639
MAT-POS-1d5ab790-3
0.639
EDJ-MED-3af0740c-1
0.636
EDJ-MED-33064c06-1
0.636
EDJ-MED-33064c06-2
0.633
EDJ-MED-33064c06-5
0.631
EDJ-MED-33064c06-8
0.627
EDJ-MED-33064c06-17
0.619
EDJ-MED-33064c06-18
0.618
EDJ-MED-33064c06-12
0.616
EDJ-MED-33064c06-14
0.616
MAT-POS-38eb6498-4
0.615
EDJ-MED-b6c6ee2b-5
0.615
EDJ-MED-4cb9dd84-1
0.613
EDJ-MED-33064c06-10
0.611
VLA-UNK-61877630-5
0.609
VLA-UNK-8e615992-2
0.609
ALP-POS-c3a90b22-5
0.609
EDJ-MED-33064c06-15
0.607
VLA-UNK-61877630-4
0.600
VLA-UNK-8e615992-1
0.600
ALP-POS-c3a90b22-11
0.596
EDJ-MED-33064c06-6
0.595
EDJ-MED-33064c06-4
0.591
ALP-POS-c3a90b22-12
0.591
EDJ-MED-33064c06-9
0.591
ALP-POS-afe0272e-2
0.578
MIK-ENA-434a856c-1
0.575
MIK-ENA-93ef1e28-1
0.575
EDJ-MED-4cb9dd84-2
0.575
PET-UNK-aa57768f-2
0.574
PET-UNK-aa57768f-3
0.574
PET-UNK-aa57768f-8
0.574
PET-UNK-aa57768f-9
0.574
VLA-UNK-8e615992-3
0.568
PET-UNK-4c71d490-3
0.557
PET-UNK-4c71d490-7
0.557
EDJ-MED-0d144977-3
0.557
EDJ-MED-cc48ee33-7
0.557
EDJ-MED-0d144977-2
0.553
LUO-POS-e1dab717-2
0.548
EDJ-MED-976a33d5-1
0.548
MAT-POS-576f7758-2
0.548
MAT-POS-e48723dc-1
0.548
MAT-POS-e48723dc-2
0.548
EDJ-MED-b6c6ee2b-7
0.547
PET-UNK-37c7074c-1
0.544
PET-UNK-37c7074c-3
0.544
PET-UNK-6af7266d-1
0.544
PET-UNK-6af7266d-3
0.544
PET-UNK-14142a25-8
0.543
PET-UNK-14142a25-17
0.543
EDJ-MED-40e596c8-4
0.542
EDJ-MED-976a33d5-2
0.542
LUO-POS-e1dab717-10
0.542
EDJ-MED-33064c06-7
0.542
ALP-POS-c3a90b22-1
0.538
EDJ-MED-98c0a822-3
0.538
EDJ-MED-7d88f880-2
0.537
PET-UNK-37c7074c-2
0.530
PET-UNK-37c7074c-4
0.530
MAT-POS-1bed62cf-2
0.530
LUO-POS-868e8996-7
0.530
LUO-POS-868e8996-8
0.530
EDJ-MED-0d144977-1
0.530
EDJ-MED-40e596c8-5
0.530
ALP-POS-c3a90b22-3
0.529
EDJ-MED-98c0a822-4
0.529
EDJ-MED-33064c06-13
0.529
JOH-UNI-06d7cc04-1
0.526
PET-UNK-aa57768f-1
0.526
PET-UNK-aa57768f-7
0.526
EDJ-MED-0d144977-4
0.525
EDJ-MED-0d144977-5
0.525
EDJ-MED-fed7ac0b-1
0.521
PET-UNK-14142a25-6
0.521
PET-UNK-14142a25-15
0.521
EDJ-MED-9f4ac58c-1
0.517