Molecular Properties | |
SMILES: | CN(C)C(=O)CC1(C(=O)Nc2cncc3ccccc23)CCOc2ccc(Cl)cc21 |
MW: | 423.13 |
Fraction sp3: | 0.26 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 71.53 |
cLogP: | 4.03 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 2.92477968484094 |
Order Status | |
Ordered: | 2020-12-18 |
Synthesis Location: | enamine |
Shipped: | 2021-01-20 |
Long aliphatic chain
MAT-POS-5d65ec79-1
1.000
MAT-POS-f9802937-3
1.000
RAL-THA-58fba2bc-1
0.818
MAT-POS-45b13633-4
0.818
EDG-MED-971238d3-10
0.818
MAT-POS-f9802937-5
0.811
MAT-POS-5d65ec79-2
0.811
MAT-POS-f9802937-6
0.811
MAT-POS-45b13633-5
0.802
EDG-MED-ba1ac7b9-3
0.784
EDG-MED-ba1ac7b9-6
0.768
EDG-MED-ba1ac7b9-8
0.758
MAT-POS-e6dd326d-3
0.750
MAT-POS-45b13633-3
0.750
MAT-POS-e6dd326d-13
0.750
MAT-POS-45b13633-2
0.747
MAT-POS-e6dd326d-2
0.747
EDG-MED-971238d3-2
0.744
MAT-POS-9db1e783-2
0.744
RAL-THA-e002e396-2
0.742
RAL-THA-e002e396-1
0.742
EDG-MED-ba1ac7b9-30
0.740
MAT-POS-45b13633-1
0.736
MAT-POS-e6dd326d-1
0.736
MAT-POS-2bb0cf2b-1
0.736
EDG-MED-971238d3-5
0.736
RAL-THA-e002e396-7
0.729
MAT-POS-fc9ede84-1
0.727
ALP-POS-67d5babe-5
0.726
EDJ-MED-28ec730d-2
0.726
RAL-THA-e002e396-11
0.723
EDG-MED-ba1ac7b9-24
0.721
EDG-MED-971238d3-9
0.720
JAG-UCB-706446eb-3
0.720
EDG-MED-971238d3-6
0.720
EDG-MED-971238d3-3
0.720
RAL-THA-58fba2bc-3
0.720
RAL-THA-e002e396-5
0.719
RAL-THA-e002e396-12
0.719
EDG-MED-ba1ac7b9-13
0.718
EDG-MED-ba1ac7b9-16
0.717
EDJ-MED-f893e2a1-8
0.716
RAL-THA-e002e396-6
0.716
MAT-POS-e6dd326d-4
0.716
MAT-POS-e6dd326d-9
0.716
EDJ-MED-d203f206-31
0.714
EDJ-MED-d203f206-20
0.713
CHO-MSK-a31cca77-1
0.713
CHO-MSK-a31cca77-4
0.713
EDJ-MED-d203f206-1
0.713
EDJ-MED-d203f206-2
0.713
DAR-DIA-ecdbc7dd-13
0.713
MAT-POS-e6dd326d-6
0.711
EDJ-MED-d203f206-5
0.710
EDG-MED-ba1ac7b9-7
0.709
MAT-POS-78e1d523-2
0.708
EDJ-MED-424a8a89-2
0.708
JAG-UCB-706446eb-6
0.706
RAL-THA-e002e396-8
0.704
MAT-POS-e6dd326d-5
0.704
EDJ-MED-28ec730d-1
0.704
JAG-UCB-706446eb-5
0.703
CHO-MSK-a31cca77-2
0.702
ALP-UNI-76695c4f-10
0.702
KAD-UNI-8a629cb0-31
0.702
MAT-POS-e6dd326d-12
0.701
EDG-MED-ba1ac7b9-28
0.701
EDG-MED-ba1ac7b9-29
0.701
EDJ-MED-d203f206-34
0.699
EDJ-MED-d203f206-13
0.699
EDJ-MED-d203f206-7
0.699
EDG-MED-ba1ac7b9-2
0.699
EDG-MED-971238d3-7
0.698
EDG-MED-971238d3-8
0.698
DAR-DIA-ecdbc7dd-4
0.698
JAG-UCB-706446eb-4
0.697
EDJ-MED-424a8a89-1
0.697
EDJ-MED-15e90dfc-3
0.697
EDJ-MED-d203f206-37
0.692
EDG-MED-ba1ac7b9-1
0.692
EDJ-MED-d203f206-18
0.692
CHO-MSK-a31cca77-3
0.692
ALP-UNI-8e43a71e-9
0.692
KAD-UNI-80f122c8-5
0.692
ALP-UNI-3496895b-9
0.692
ALP-UNI-76695c4f-8
0.692
KAD-UNI-8a629cb0-17
0.692
EDG-MED-ba1ac7b9-17
0.691
EDG-MED-70ae9412-2
0.690
RAL-THA-e002e396-3
0.690
MAT-POS-e6dd326d-7
0.690
EDJ-MED-4c7486ba-1
0.690
EDJ-MED-4c7486ba-4
0.690
KAD-UNI-80f122c8-2
0.689
KAD-UNI-8a629cb0-46
0.689
ALP-UNI-76695c4f-6
0.689
ALP-UNI-8e43a71e-3
0.689
ALP-UNI-3496895b-3
0.689
KAD-UNI-8a629cb0-10
0.689
KAD-UNI-8a629cb0-42
0.686