Molecular Properties | |
SMILES: | CNC(=O)CC1(C(=O)Nc2cncc3ccccc23)CCOc2ccc(Cl)cc21 |
MW: | 409.12 |
Fraction sp3: | 0.23 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 80.32 |
cLogP: | 3.68 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 3.33080346798424 |
Order Status | |
Ordered: | 2020-12-18 |
Synthesis Location: | enamine |
Shipped: | 2021-02-03 |
Long aliphatic chain
MAT-POS-5d65ec79-2
1.000
MAT-POS-f9802937-6
1.000
RAL-THA-58fba2bc-1
0.828
EDG-MED-971238d3-10
0.828
MAT-POS-45b13633-4
0.828
MAT-POS-5d65ec79-1
0.811
MAT-POS-f9802937-3
0.811
MAT-POS-45b13633-5
0.811
MAT-POS-f9802937-4
0.811
MAT-POS-78e1d523-2
0.791
MAT-POS-45b13633-2
0.775
MAT-POS-e6dd326d-2
0.775
EDJ-MED-d203f206-20
0.773
CHO-MSK-a31cca77-1
0.773
CHO-MSK-a31cca77-4
0.773
EDJ-MED-d203f206-1
0.773
EDJ-MED-d203f206-2
0.773
JAG-UCB-706446eb-6
0.765
CHO-MSK-a31cca77-2
0.760
EDJ-MED-d203f206-34
0.758
EDJ-MED-d203f206-13
0.758
EDJ-MED-d203f206-7
0.758
EDG-MED-ba1ac7b9-6
0.758
EDG-MED-971238d3-2
0.753
MAT-POS-9db1e783-2
0.753
EDJ-MED-d203f206-12
0.752
RAL-THA-e002e396-1
0.750
RAL-THA-e002e396-2
0.750
RAL-THA-e002e396-11
0.750
EDJ-MED-d203f206-18
0.750
CHO-MSK-a31cca77-3
0.750
RAL-THA-e002e396-5
0.745
MAT-POS-e6dd326d-12
0.745
MAT-POS-2bb0cf2b-1
0.744
MAT-POS-e6dd326d-1
0.744
EDG-MED-971238d3-5
0.744
MAT-POS-45b13633-1
0.744
MAT-POS-e6dd326d-3
0.739
MAT-POS-45b13633-3
0.739
RAL-THA-e002e396-7
0.737
JAG-UCB-706446eb-7
0.735
ALP-UNI-3496895b-16
0.735
ALP-UNI-8e43a71e-16
0.735
EDJ-MED-d203f206-29
0.735
ALP-POS-9c80c481-1
0.732
JAG-UCB-706446eb-3
0.728
EDG-MED-971238d3-6
0.728
RAL-THA-58fba2bc-3
0.728
EDG-MED-971238d3-9
0.728
EDG-MED-971238d3-3
0.728
KAD-UNI-8a629cb0-46
0.728
RAL-THA-e002e396-12
0.726
ALP-POS-67d5babe-2
0.724
KAD-UNI-8a629cb0-2
0.724
ALP-UNI-76695c4f-1
0.724
KAD-UNI-80f122c8-1
0.724
RAL-THA-e002e396-6
0.723
MAT-POS-e6dd326d-4
0.723
MAT-POS-e6dd326d-9
0.723
EDJ-MED-f893e2a1-8
0.723
DAR-DIA-ecdbc7dd-13
0.720
EDG-MED-ba1ac7b9-3
0.720
EDJ-MED-28ec730d-2
0.716
EDJ-MED-424a8a89-2
0.716
EDG-MED-ba1ac7b9-7
0.716
EDG-MED-ba1ac7b9-8
0.713
EDJ-MED-d203f206-22
0.712
RAL-THA-e002e396-8
0.711
MAT-POS-e6dd326d-5
0.711
ALP-UNI-76695c4f-10
0.709
EDJ-MED-d203f206-19
0.709
EDG-MED-ba1ac7b9-13
0.709
KAD-UNI-8a629cb0-31
0.709
EDJ-MED-d203f206-11
0.708
EDG-MED-ba1ac7b9-2
0.706
EDG-MED-971238d3-8
0.705
DAR-DIA-ecdbc7dd-4
0.705
EDG-MED-971238d3-7
0.705
JAG-UCB-706446eb-2
0.704
MAT-POS-e6dd326d-6
0.701
EDJ-MED-d203f206-23
0.701
EDJ-MED-d203f206-37
0.699
EDG-MED-ba1ac7b9-1
0.699
EDG-MED-70ae9412-2
0.697
EDJ-MED-4c7486ba-1
0.697
EDJ-MED-4c7486ba-4
0.697
EDJ-MED-d203f206-41
0.695
EDJ-MED-d203f206-43
0.695
KAD-UNI-80f122c8-2
0.695
ALP-UNI-76695c4f-6
0.695
ALP-UNI-8e43a71e-3
0.695
ALP-UNI-3496895b-3
0.695
EDJ-MED-d203f206-26
0.695
KAD-UNI-8a629cb0-10
0.695
RAL-THA-e002e396-13
0.694
EDJ-MED-28ec730d-1
0.694
KAD-UNI-8a629cb0-42
0.692
MAT-POS-e6dd326d-8
0.691
MAT-POS-e6dd326d-11
0.691
DAR-DIA-ecdbc7dd-3
0.691