Molecular Properties | |
SMILES: | CNC(=O)CN1CC2(CCN(c3cncc4cc(Cl)ccc34)C2=O)c2cc(Cl)ccc2C1=O |
MW: | 482.09 |
Fraction sp3: | 0.25 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 82.61 |
cLogP: | 3.42 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 0.449248669655695 |
Order Status | |
Ordered: | 2021-10-29 |
Synthesis Location: | enamine |
Shipped: | 2022-01-12 |
EDJ-MED-8bb691af-4
EDG-MED-b1ef7fe3-3
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EDJ-MED-8bb691af-8
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MIK-ENA-37e0b697-1
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PET-UNK-14142a25-1
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LUO-POS-9931618f-1
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MIK-ENA-794411b8-1
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LUO-POS-9931618f-2
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PET-UNK-14142a25-10
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EDJ-MED-7d88f880-1
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LUO-POS-8c3e556a-1
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EDG-MED-b1ef7fe3-1
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LUO-POS-8c3e556a-2
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EDJ-MED-b6c6ee2b-6
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EDG-MED-b1ef7fe3-2
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MAT-POS-38eb6498-6
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MAT-POS-ddfe83c6-1
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PET-UNK-c6bcc80b-6
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PET-UNK-c6bcc80b-13
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PET-UNK-14142a25-2
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PET-UNK-14142a25-11
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JOH-MSK-4bb3d434-1
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MAT-POS-853c0ffa-1
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MAT-POS-1d5ab790-3
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EDJ-MED-33064c06-3
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EDJ-MED-33064c06-1
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EDJ-MED-33064c06-2
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EDJ-MED-33064c06-5
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EDJ-MED-33064c06-12
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EDJ-MED-4cb9dd84-1
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EDJ-MED-33064c06-8
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EDJ-MED-3af0740c-1
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EDJ-MED-33064c06-18
0.654
EDJ-MED-33064c06-14
0.651
EDJ-MED-b6c6ee2b-5
0.649
MAT-POS-38eb6498-4
0.649
EDJ-MED-33064c06-10
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ALP-POS-c3a90b22-11
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ALP-POS-c3a90b22-5
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EDJ-MED-33064c06-6
0.642
EDJ-MED-33064c06-15
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EDJ-MED-33064c06-4
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ALP-POS-c3a90b22-12
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EDJ-MED-33064c06-9
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EDJ-MED-33064c06-17
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MIK-ENA-434a856c-1
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MIK-ENA-93ef1e28-1
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EDJ-MED-4cb9dd84-2
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EDJ-MED-9f4ac58c-1
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EDJ-MED-9f4ac58c-5
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VLA-UNK-8e615992-2
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VLA-UNK-61877630-5
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ALP-POS-afe0272e-2
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PET-UNK-aa57768f-2
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PET-UNK-aa57768f-8
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PET-UNK-aa57768f-3
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PET-UNK-aa57768f-9
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VLA-UNK-61877630-4
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VLA-UNK-8e615992-1
0.589
PET-UNK-4c71d490-3
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PET-UNK-4c71d490-7
0.587
EDJ-MED-cc48ee33-7
0.587
EDJ-MED-0d144977-3
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EDJ-MED-0d144977-2
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MAT-POS-576f7758-2
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EDJ-MED-976a33d5-1
0.578
LUO-POS-e1dab717-2
0.578
MAT-POS-e48723dc-1
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MAT-POS-e48723dc-2
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EDJ-MED-40e596c8-4
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EDJ-MED-976a33d5-2
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EDJ-MED-33064c06-7
0.570
LUO-POS-e1dab717-10
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ALP-POS-c3a90b22-1
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EDJ-MED-98c0a822-3
0.568
EDJ-MED-7d88f880-2
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PET-UNK-37c7074c-1
0.560
PET-UNK-37c7074c-3
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PET-UNK-37c7074c-2
0.560
PET-UNK-37c7074c-4
0.560
MAT-POS-1bed62cf-2
0.560
LUO-POS-868e8996-7
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LUO-POS-868e8996-8
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PET-UNK-6af7266d-3
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PET-UNK-6af7266d-1
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EDJ-MED-0d144977-1
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EDJ-MED-40e596c8-5
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ALP-POS-c3a90b22-3
0.558
EDJ-MED-98c0a822-4
0.558
EDJ-MED-33064c06-13
0.558
VLA-UNK-8e615992-3
0.556
PET-UNK-aa57768f-1
0.555
PET-UNK-aa57768f-7
0.555
PET-UNK-4c71d490-1
0.554
PET-UNK-4c71d490-5
0.554
EDJ-MED-0d144977-4
0.554
EDJ-MED-0d144977-5
0.554
EDJ-MED-fed7ac0b-1
0.550
PET-UNK-14142a25-8
0.545
PET-UNK-14142a25-17
0.545
EDJ-MED-cc48ee33-2
0.544