Molecular Properties | |
SMILES: | Cn1ccnc1CN(C(=O)CC1(C(=O)Nc2cncc3ccccc23)CCOc2ccc(Cl)cc21)C1CC1 |
MW: | 529.19 |
Fraction sp3: | 0.31 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 7 |
TPSA: | 89.35 |
cLogP: | 4.86 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 5.05334496683302 |
Order Status | |
Ordered: | 2021-01-25 |
Synthesis Location: | enamine |
Shipped: | 2021-03-31 |
Long aliphatic chain
EDG-MED-ba1ac7b9-16
0.774
EDG-MED-ba1ac7b9-3
0.741
EDG-MED-ba1ac7b9-29
0.729
EDG-MED-ba1ac7b9-30
0.720
EDG-MED-ba1ac7b9-8
0.719
MAT-POS-f9802937-3
0.691
MAT-POS-f9802937-4
0.691
MAT-POS-5d65ec79-1
0.691
EDJ-MED-d203f206-31
0.669
EDG-MED-ba1ac7b9-24
0.661
RAL-THA-58fba2bc-1
0.655
EDG-MED-971238d3-10
0.655
MAT-POS-45b13633-4
0.655
MAT-POS-5d65ec79-2
0.652
MAT-POS-f9802937-5
0.652
MAT-POS-f9802937-6
0.652
MAT-POS-45b13633-5
0.646
EDG-MED-ba1ac7b9-13
0.645
EDG-MED-ba1ac7b9-1
0.636
JAG-UCB-706446eb-5
0.636
EDJ-MED-d203f206-22
0.634
MAT-POS-e6dd326d-14
0.633
EDG-MED-ba1ac7b9-2
0.628
EDG-MED-ba1ac7b9-6
0.628
ALP-POS-67d5babe-5
0.627
EDJ-MED-d203f206-29
0.626
JAG-UCB-706446eb-7
0.626
EDG-MED-ba1ac7b9-15
0.624
EDG-MED-ba1ac7b9-7
0.623
CHO-MSK-a31cca77-2
0.618
EDJ-MED-d203f206-5
0.614
RAL-THA-e002e396-12
0.612
EDJ-MED-d203f206-20
0.612
CHO-MSK-a31cca77-4
0.612
EDJ-MED-d203f206-2
0.612
KAD-UNI-8a629cb0-17
0.611
ALP-UNI-3496895b-9
0.611
ALP-UNI-76695c4f-8
0.611
KAD-UNI-80f122c8-5
0.611
ALP-UNI-8e43a71e-9
0.611
EDJ-MED-d203f206-30
0.611
CHO-MSK-a31cca77-3
0.610
EDJ-MED-d203f206-18
0.610
MAT-POS-e6dd326d-9
0.609
ALP-UNI-76695c4f-6
0.608
KAD-UNI-80f122c8-2
0.608
EDJ-MED-d203f206-41
0.608
ALP-UNI-3496895b-3
0.608
KAD-UNI-8a629cb0-10
0.608
ALP-UNI-8e43a71e-3
0.608
EDG-MED-ba1ac7b9-28
0.606
KAD-UNI-8a629cb0-42
0.605
EDJ-MED-d203f206-19
0.605
ALP-POS-67d5babe-3
0.603
MAT-POS-e6dd326d-2
0.602
MAT-POS-45b13633-2
0.602
EDJ-MED-d203f206-13
0.602
EDJ-MED-d203f206-7
0.602
EDJ-MED-d203f206-34
0.602
EDJ-MED-d203f206-23
0.602
ALP-POS-67d5babe-4
0.602
ALP-UNI-76695c4f-2
0.600
RAL-THA-e002e396-2
0.600
EDJ-MED-d203f206-12
0.600
RAL-THA-e002e396-1
0.600
ALP-POS-2da19ca7-4
0.600
KAD-UNI-8a629cb0-5
0.600
CHO-MSK-a31cca77-1
0.598
EDJ-MED-d203f206-1
0.598
MAT-POS-e6dd326d-12
0.598
EDG-MED-971238d3-2
0.598
MAT-POS-9db1e783-2
0.598
EDJ-MED-d203f206-16
0.595
EDG-MED-ba1ac7b9-12
0.595
EDJ-MED-d203f206-26
0.595
EDJ-MED-d203f206-43
0.595
EDG-MED-ba1ac7b9-21
0.594
EDJ-MED-d203f206-8
0.594
EDJ-MED-d203f206-33
0.594
EDJ-MED-d203f206-11
0.594
EDJ-MED-d203f206-25
0.594
JAG-UCB-706446eb-6
0.593
MAT-POS-e6dd326d-6
0.593
MAT-POS-e6dd326d-1
0.593
MAT-POS-45b13633-1
0.593
MAT-POS-2bb0cf2b-1
0.593
EDG-MED-971238d3-5
0.593
EDG-MED-ba1ac7b9-26
0.592
EDG-MED-ba1ac7b9-27
0.592
ALP-UNI-76695c4f-10
0.592
KAD-UNI-8a629cb0-31
0.592
MAT-POS-e6dd326d-7
0.592
MAT-POS-e6dd326d-3
0.591
MAT-POS-45b13633-3
0.591
DAR-DIA-ecdbc7dd-13
0.591
EDG-MED-ba1ac7b9-32
0.589
EDJ-MED-d203f206-15
0.589
EDJ-MED-d203f206-42
0.589
EDG-MED-ba1ac7b9-18
0.588
RAL-THA-e002e396-11
0.586