Molecular Properties | |
SMILES: | CC1CN(C(=O)CC2(C(=O)Nc3cncc4ccccc34)CCOc3ccc(Cl)cc32)CCN1CCO |
MW: | 522.2 |
Fraction sp3: | 0.39 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 95.0 |
cLogP: | 3.46 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 99.5 |
Order Status | |
Ordered: | 2021-01-25 |
Synthesis Location: | enamine |
Shipped: | 2021-04-07 |
EDG-MED-ba1ac7b9-26
0.767
EDG-MED-ba1ac7b9-14
0.744
EDJ-MED-d203f206-43
0.730
EDJ-MED-d203f206-26
0.730
EDJ-MED-d203f206-25
0.726
EDG-MED-ba1ac7b9-27
0.723
EDJ-MED-d203f206-40
0.720
EDG-MED-ba1ac7b9-32
0.720
EDG-MED-ba1ac7b9-7
0.719
ALP-UNI-3496895b-8
0.718
ALP-UNI-8e43a71e-8
0.718
KAD-UNI-8a629cb0-15
0.714
ALP-UNI-3496895b-6
0.714
ALP-UNI-76695c4f-7
0.714
ALP-UNI-8e43a71e-6
0.714
KAD-UNI-80f122c8-4
0.714
EDG-MED-ba1ac7b9-28
0.712
ALP-UNI-3496895b-2
0.711
ALP-UNI-8e43a71e-2
0.711
EDG-MED-ba1ac7b9-15
0.703
EDG-MED-ba1ac7b9-13
0.698
EDG-MED-ba1ac7b9-5
0.697
ALP-POS-2da19ca7-2
0.694
ALP-POS-5bb456a5-8
0.694
EDG-MED-ba1ac7b9-33
0.694
ALP-POS-5bb456a5-7
0.694
ALP-POS-67d5babe-3
0.691
EDJ-MED-d203f206-37
0.690
KAD-UNI-8a629cb0-17
0.689
ALP-UNI-76695c4f-8
0.689
ALP-UNI-3496895b-9
0.689
KAD-UNI-80f122c8-5
0.689
ALP-UNI-8e43a71e-9
0.689
EDG-MED-ba1ac7b9-31
0.689
EDG-MED-ba1ac7b9-4
0.686
ALP-UNI-76695c4f-10
0.684
KAD-UNI-8a629cb0-31
0.684
KAD-UNI-8a629cb0-8
0.683
ALP-UNI-76695c4f-5
0.683
ALP-UNI-76695c4f-4
0.683
KAD-UNI-80f122c8-3
0.683
EDJ-MED-d203f206-27
0.683
EDJ-MED-d203f206-35
0.683
KAD-UNI-8a629cb0-7
0.683
EDG-MED-ba1ac7b9-2
0.681
ALP-UNI-76695c4f-9
0.678
ALP-UNI-3496895b-10
0.678
KAD-UNI-8a629cb0-33
0.678
ALP-POS-2da19ca7-1
0.678
ALP-UNI-3496895b-7
0.678
ALP-POS-5bb456a5-9
0.678
ALP-UNI-8e43a71e-7
0.678
ALP-UNI-8e43a71e-10
0.678
KAD-UNI-8a629cb0-21
0.678
ALP-POS-5bb456a5-10
0.678
ALP-POS-67d5babe-4
0.678
EDJ-MED-d203f206-9
0.675
ALP-UNI-76695c4f-2
0.675
ALP-POS-2da19ca7-4
0.675
KAD-UNI-8a629cb0-5
0.675
ALP-UNI-76695c4f-6
0.672
ALP-UNI-8e43a71e-3
0.672
ALP-UNI-3496895b-3
0.672
KAD-UNI-80f122c8-2
0.672
KAD-UNI-8a629cb0-10
0.672
KAD-UNI-8a629cb0-42
0.669
EDJ-MED-d203f206-24
0.669
MAT-POS-45b13633-4
0.667
RAL-THA-58fba2bc-1
0.667
EDG-MED-971238d3-10
0.667
EDJ-MED-d203f206-36
0.664
EDJ-MED-d203f206-10
0.664
MAT-POS-f9802937-6
0.664
MAT-POS-5d65ec79-2
0.664
MAT-POS-f9802937-5
0.664
EDJ-MED-d203f206-38
0.661
EDG-MED-ba1ac7b9-1
0.661
EDJ-MED-d203f206-32
0.659
ALP-POS-5bb456a5-5
0.659
ALP-POS-2da19ca7-5
0.659
ALP-POS-5bb456a5-6
0.659
EDJ-MED-d203f206-41
0.658
MAT-POS-f9802937-3
0.658
MAT-POS-f9802937-4
0.658
MAT-POS-45b13633-5
0.658
MAT-POS-5d65ec79-1
0.658
EDJ-MED-d203f206-21
0.656
EDJ-MED-d203f206-39
0.656
EDJ-MED-d203f206-19
0.655
EDG-MED-ba1ac7b9-23
0.653
ALP-POS-5bb456a5-3
0.648
ALP-POS-2da19ca7-6
0.648
ALP-POS-5bb456a5-4
0.648
EDG-MED-ba1ac7b9-18
0.648
EDG-MED-ba1ac7b9-30
0.648
EDJ-MED-d203f206-22
0.645
EDJ-MED-d203f206-33
0.642
ALP-UNI-76695c4f-3
0.641
ALP-POS-2da19ca7-3
0.641
KAD-UNI-8a629cb0-6
0.641