Molecular Properties | |
SMILES: | O=C(CC1(C(=O)Nc2cncc3ccccc23)CCOc2ccc(Cl)cc21)N1CCCCC1c1nc[nH]n1 |
MW: | 530.18 |
Fraction sp3: | 0.32 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 113.1 |
cLogP: | 4.81 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 0.436516103663582 |
Order Status | |
Ordered: | 2021-01-25 |
Synthesis Location: | enamine |
Shipped: | 2021-03-10 |
EDG-MED-ba1ac7b9-10
0.777
EDG-MED-ba1ac7b9-11
0.777
EDJ-MED-d203f206-30
0.733
EDJ-MED-d203f206-16
0.698
EDG-MED-ba1ac7b9-12
0.698
EDJ-MED-d203f206-22
0.689
EDG-MED-ba1ac7b9-2
0.683
EDJ-MED-d203f206-42
0.680
EDG-MED-ba1ac7b9-1
0.678
EDJ-MED-d203f206-41
0.675
EDJ-MED-d203f206-3
0.674
EDJ-MED-d203f206-15
0.667
EDG-MED-ba1ac7b9-7
0.664
EDJ-MED-d203f206-8
0.659
ALP-UNI-8e43a71e-1
0.652
ALP-UNI-3496895b-1
0.652
EDG-MED-ba1ac7b9-15
0.651
EDJ-MED-d203f206-14
0.649
ALP-UNI-8e43a71e-2
0.646
ALP-UNI-3496895b-2
0.646
EDG-MED-ba1ac7b9-13
0.645
KAD-UNI-8a629cb0-42
0.645
EDG-MED-ba1ac7b9-21
0.644
MAT-POS-45b13633-4
0.640
RAL-THA-58fba2bc-1
0.640
EDG-MED-971238d3-10
0.640
EDJ-MED-d203f206-38
0.638
ALP-POS-2da19ca7-5
0.636
ALP-POS-5bb456a5-6
0.636
ALP-POS-5bb456a5-5
0.636
EDJ-MED-d203f206-43
0.635
ALP-UNI-3496895b-3
0.635
EDJ-MED-d203f206-26
0.635
KAD-UNI-8a629cb0-10
0.635
ALP-UNI-76695c4f-6
0.635
ALP-UNI-8e43a71e-3
0.635
KAD-UNI-80f122c8-2
0.635
ALP-UNI-76695c4f-10
0.632
EDJ-MED-d203f206-19
0.632
KAD-UNI-8a629cb0-31
0.632
EDG-MED-ba1ac7b9-20
0.626
EDJ-MED-d203f206-33
0.620
EDG-MED-ba1ac7b9-28
0.620
MAT-POS-45b13633-5
0.619
EDG-MED-ba1ac7b9-23
0.618
EDG-MED-ba1ac7b9-27
0.618
EDJ-MED-d203f206-10
0.615
EDG-MED-ba1ac7b9-18
0.614
EDG-MED-ba1ac7b9-22
0.613
EDG-MED-ba1ac7b9-3
0.613
KAD-UNI-8a629cb0-17
0.612
ALP-UNI-76695c4f-8
0.612
ALP-UNI-8e43a71e-9
0.612
KAD-UNI-80f122c8-5
0.612
ALP-UNI-3496895b-9
0.612
EDG-MED-ba1ac7b9-19
0.612
EDJ-MED-d203f206-37
0.611
MAT-POS-f9802937-6
0.610
MAT-POS-f9802937-5
0.610
MAT-POS-5d65ec79-2
0.610
EDJ-MED-d203f206-27
0.609
EDJ-MED-d203f206-39
0.608
EDG-MED-ba1ac7b9-26
0.606
MAT-POS-f9802937-3
0.605
MAT-POS-f9802937-4
0.605
MAT-POS-5d65ec79-1
0.605
ALP-POS-67d5babe-3
0.604
ALP-UNI-76695c4f-9
0.603
ALP-POS-5bb456a5-9
0.603
EDJ-MED-d203f206-40
0.603
ALP-UNI-3496895b-10
0.603
KAD-UNI-8a629cb0-21
0.603
ALP-POS-2da19ca7-1
0.603
ALP-POS-5bb456a5-10
0.603
EDG-MED-ba1ac7b9-32
0.603
ALP-UNI-8e43a71e-10
0.603
ALP-POS-67d5babe-4
0.603
JAG-UCB-706446eb-7
0.602
ALP-POS-2da19ca7-4
0.602
KAD-UNI-8a629cb0-5
0.602
ALP-UNI-76695c4f-2
0.602
EDG-MED-ba1ac7b9-31
0.602
EDG-MED-ba1ac7b9-30
0.600
ALP-UNI-3496895b-11
0.600
EDJ-MED-d203f206-9
0.600
ALP-UNI-8e43a71e-11
0.600
EDJ-MED-d203f206-21
0.599
EDG-MED-ba1ac7b9-4
0.598
EDJ-MED-d203f206-35
0.597
KAD-UNI-8a629cb0-8
0.595
EDJ-MED-d203f206-11
0.595
ALP-UNI-76695c4f-5
0.595
EDJ-MED-d203f206-25
0.595
EDG-MED-ba1ac7b9-5
0.595
EDG-MED-ba1ac7b9-8
0.595
ALP-POS-2da19ca7-2
0.594
EDG-MED-ba1ac7b9-33
0.594
ALP-POS-5bb456a5-7
0.594
ALP-POS-5bb456a5-8
0.594
KAD-UNI-8a629cb0-33
0.591