Molecular Properties | |
SMILES: | O=C(C[C@@]1(C(=O)Nc2cncc3ccccc23)CCOc2ccc(Cl)cc21)N1CCN(CC(F)(F)CO)CC1 |
MW: | 558.18 |
Fraction sp3: | 0.39 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 7 |
TPSA: | 95.0 |
cLogP: | 3.71 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - RapidFire: | 9.25784418653086 |
Order Status | |
Shipped: | synthesis in progress |
ALP-UNI-8e43a71e-10
1.000
ALP-UNI-76695c4f-9
1.000
KAD-UNI-8a629cb0-21
1.000
ALP-UNI-3496895b-8
0.786
ALP-UNI-8e43a71e-8
0.786
KAD-UNI-8a629cb0-33
0.772
ALP-UNI-8e43a71e-7
0.757
ALP-POS-5bb456a5-9
0.757
ALP-POS-2da19ca7-1
0.757
ALP-POS-5bb456a5-10
0.757
ALP-UNI-3496895b-7
0.757
EDG-MED-ba1ac7b9-5
0.733
EDJ-MED-d203f206-37
0.726
KAD-UNI-8a629cb0-8
0.718
ALP-UNI-76695c4f-5
0.718
EDG-MED-ba1ac7b9-28
0.718
EDG-MED-ba1ac7b9-32
0.712
ALP-UNI-8e43a71e-6
0.706
KAD-UNI-80f122c8-4
0.706
ALP-UNI-76695c4f-7
0.706
ALP-UNI-3496895b-6
0.706
KAD-UNI-8a629cb0-15
0.706
ALP-POS-5bb456a5-7
0.700
ALP-POS-2da19ca7-2
0.700
EDG-MED-ba1ac7b9-33
0.700
ALP-POS-5bb456a5-8
0.700
EDJ-MED-d203f206-9
0.695
ALP-UNI-8e43a71e-9
0.695
KAD-UNI-8a629cb0-17
0.695
ALP-UNI-3496895b-9
0.695
ALP-UNI-76695c4f-8
0.695
KAD-UNI-80f122c8-5
0.695
EDG-MED-ba1ac7b9-31
0.694
ALP-POS-2da19ca7-5
0.692
ALP-POS-5bb456a5-6
0.692
ALP-POS-5bb456a5-5
0.692
EDG-MED-971238d3-10
0.689
MAT-POS-45b13633-4
0.689
RAL-THA-58fba2bc-1
0.689
EDJ-MED-d203f206-10
0.683
ALP-POS-67d5babe-4
0.683
EDJ-MED-d203f206-43
0.678
EDJ-MED-d203f206-26
0.678
EDG-MED-ba1ac7b9-4
0.678
EDG-MED-ba1ac7b9-25
0.678
ALP-UNI-76695c4f-10
0.675
KAD-UNI-8a629cb0-31
0.675
EDG-MED-ba1ac7b9-2
0.672
EDG-MED-ba1ac7b9-27
0.672
EDJ-MED-d203f206-40
0.669
EDG-MED-ba1ac7b9-7
0.667
ALP-POS-2da19ca7-4
0.667
KAD-UNI-8a629cb0-5
0.667
ALP-UNI-76695c4f-2
0.667
ALP-UNI-8e43a71e-11
0.664
ALP-UNI-3496895b-11
0.664
EDG-MED-ba1ac7b9-14
0.664
EDJ-MED-d203f206-25
0.661
EDJ-MED-d203f206-39
0.661
EDJ-MED-d203f206-36
0.656
MAT-POS-f9802937-6
0.655
MAT-POS-f9802937-5
0.655
MAT-POS-5d65ec79-2
0.655
EDJ-MED-d203f206-38
0.653
EDG-MED-ba1ac7b9-1
0.653
DAR-DIA-ecdbc7dd-13
0.651
EDJ-MED-d203f206-22
0.650
EDJ-MED-d203f206-41
0.650
MAT-POS-5d65ec79-1
0.649
MAT-POS-f9802937-3
0.649
MAT-POS-f9802937-4
0.649
MAT-POS-45b13633-5
0.649
EDJ-MED-d203f206-19
0.647
KAD-UNI-8a629cb0-42
0.647
MAT-POS-9db1e783-2
0.645
EDG-MED-971238d3-2
0.645
EDJ-MED-d203f206-20
0.641
EDG-MED-ba1ac7b9-20
0.640
EDJ-MED-d203f206-30
0.639
EDG-MED-ba1ac7b9-15
0.639
EDJ-MED-d203f206-27
0.635
EDJ-MED-d203f206-35
0.635
KAD-UNI-8a629cb0-7
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ALP-UNI-76695c4f-4
0.635
KAD-UNI-80f122c8-3
0.635
DAR-DIA-ecdbc7dd-18
0.635
EDG-MED-ba1ac7b9-13
0.633
KAD-UNI-8a629cb0-6
0.633
ALP-UNI-76695c4f-3
0.633
ALP-POS-2da19ca7-3
0.633
ALP-POS-67d5babe-3
0.630
EDJ-MED-d203f206-15
0.629
EDJ-MED-d203f206-42
0.629
ALP-POS-2da19ca7-6
0.628
ALP-POS-5bb456a5-4
0.628
ALP-POS-5bb456a5-3
0.628
EDG-MED-971238d3-3
0.627
RAL-THA-58fba2bc-3
0.627
EDJ-MED-d203f206-32
0.625
DAR-DIA-ecdbc7dd-4
0.625