Molecular Properties | |
SMILES: | CN(C)CC1(C(=O)Nc2cncc3ccccc23)CCOc2ccc(Cl)cc21 |
MW: | 395.14 |
Fraction sp3: | 0.27 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 54.46 |
cLogP: | 4.11 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 11.5330756041869 |
Order Status | |
Ordered: | 2021-03-30 |
Synthesis Location: | enamine |
Shipped: | 2021-05-06 |
MAT-POS-45b13633-3
1.000
MAT-POS-e6dd326d-2
0.773
MAT-POS-45b13633-2
0.773
MAT-POS-9db1e783-2
0.770
EDG-MED-971238d3-2
0.770
RAL-THA-e002e396-11
0.767
MAT-POS-45b13633-1
0.761
MAT-POS-2bb0cf2b-1
0.761
MAT-POS-e6dd326d-1
0.761
EDG-MED-971238d3-5
0.761
RAL-THA-e002e396-12
0.761
MAT-POS-f9802937-3
0.750
MAT-POS-f9802937-4
0.750
MAT-POS-5d65ec79-1
0.750
RAL-THA-e002e396-1
0.747
RAL-THA-e002e396-2
0.747
MAT-POS-45b13633-4
0.744
RAL-THA-58fba2bc-3
0.744
EDG-MED-971238d3-9
0.744
EDG-MED-971238d3-3
0.744
JAG-UCB-706446eb-3
0.744
RAL-THA-58fba2bc-1
0.744
EDG-MED-971238d3-6
0.744
EDG-MED-971238d3-10
0.744
MAT-POS-e6dd326d-9
0.739
MAT-POS-5d65ec79-2
0.739
EDJ-MED-f893e2a1-8
0.739
MAT-POS-f9802937-6
0.739
MAT-POS-f9802937-5
0.739
MAT-POS-e6dd326d-4
0.739
DAR-DIA-ecdbc7dd-13
0.736
RAL-THA-e002e396-7
0.734
MAT-POS-45b13633-5
0.731
EDJ-MED-28ec730d-2
0.731
EDJ-MED-424a8a89-2
0.731
EDJ-MED-4c7486ba-1
0.729
EDJ-MED-4c7486ba-4
0.729
EDG-MED-70ae9412-2
0.729
MAT-POS-e6dd326d-5
0.726
MAT-POS-e6dd326d-12
0.723
RAL-THA-e002e396-5
0.723
EDG-MED-971238d3-8
0.720
DAR-DIA-ecdbc7dd-4
0.720
EDG-MED-971238d3-7
0.720
RAL-THA-e002e396-6
0.720
MAT-POS-e6dd326d-13
0.719
MAT-POS-e6dd326d-6
0.716
MAT-POS-fc9ede84-1
0.714
ALP-POS-9c80c481-1
0.711
RAL-THA-e002e396-13
0.708
EDJ-MED-28ec730d-1
0.708
MAT-POS-e6dd326d-8
0.705
MAT-POS-e6dd326d-11
0.705
DAR-DIA-ecdbc7dd-3
0.705
ALP-POS-477dc5b7-3
0.705
EDJ-MED-424a8a89-1
0.701
EDJ-MED-15e90dfc-3
0.701
DAR-DIA-6a508060-13
0.701
JAG-UCB-706446eb-2
0.701
JAG-UCB-706446eb-4
0.701
MAT-POS-e6dd326d-10
0.701
MAT-POS-78e1d523-2
0.695
MAT-POS-e6dd326d-7
0.694
DAR-DIA-ecdbc7dd-18
0.694
DAR-DIA-ecdbc7dd-2
0.694
EDJ-MED-15e90dfc-7
0.694
DAR-DIA-ecdbc7dd-5
0.691
DAR-DIA-ecdbc7dd-11
0.691
RAL-THA-e002e396-8
0.691
EDJ-MED-d203f206-13
0.686
EDJ-MED-40433386-10
0.684
DAR-DIA-ecdbc7dd-16
0.684
CHO-MSK-a31cca77-1
0.683
EDJ-MED-f893e2a1-10
0.683
EDJ-MED-d203f206-1
0.683
EDJ-MED-fcba3f31-5
0.680
EDJ-MED-fcba3f31-4
0.680
EDJ-MED-8c98ee63-1
0.680
EDJ-MED-f893e2a1-3
0.677
RAL-THA-e002e396-3
0.677
KAD-UNI-8a629cb0-39
0.676
EDJ-MED-fcba3f31-2
0.673
CHO-MSK-a31cca77-2
0.673
EDJ-MED-f893e2a1-9
0.670
EDJ-MED-40433386-4
0.670
EDJ-MED-15e90dfc-5
0.670
EDJ-MED-fcba3f31-10
0.670
EDG-MED-ba1ac7b9-6
0.670
CHO-MSK-a31cca77-4
0.667
MAT-POS-8e4737f4-1
0.667
DAR-DIA-6a508060-10
0.667
MAT-POS-2905de8c-3
0.667
EDJ-MED-fcba3f31-8
0.667
EDJ-MED-d203f206-2
0.667
BEN-DND-a7517465-4
0.667
EDJ-MED-e4b030d8-13
0.667
EDJ-MED-d203f206-20
0.667
EDJ-MED-d203f206-18
0.663
EDJ-MED-00143744-2
0.663
CHO-MSK-a31cca77-3
0.663