Molecular Properties | |
SMILES: | N#CC1(CS(=O)(=O)N2Cc3ccc(Cl)cc3C(C(=O)Nc3cncc4cc(Cl)ccc34)C2)CC1 |
MW: | 514.06 |
Fraction sp3: | 0.29 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 103.16 |
cLogP: | 4.71 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 0.283104497710155 |
Order Status | |
Ordered: | 2021-07-06 |
Synthesis Location: | enamine |
Shipped: | 2021-09-01 |
Hetero_hetero
EDJ-MED-be9e6f63-4
1.000
EDJ-MED-be9e6f63-2
0.833
EDJ-MED-7889e8da-2
0.833
MAT-POS-c7726e07-7
0.827
EDJ-MED-378a25ea-25
0.827
EDJ-MED-be9e6f63-3
0.827
MAT-POS-c7726e07-8
0.827
EDJ-MED-378a25ea-9
0.825
EDJ-MED-7889e8da-6
0.825
EDJ-MED-378a25ea-11
0.816
MAT-POS-22373164-2
0.810
EDJ-MED-be9e6f63-1
0.808
MAT-POS-e194df51-2
0.802
MAT-POS-dc2604c4-1
0.802
MAT-POS-e194df51-1
0.802
EDJ-MED-378a25ea-21
0.800
EDJ-MED-378a25ea-1
0.800
EDJ-MED-378a25ea-18
0.800
MAT-POS-22373164-3
0.794
MAT-POS-22373164-4
0.794
MAT-POS-22373164-1
0.792
EDJ-MED-4f4dd660-2
0.792
EDJ-MED-378a25ea-23
0.792
EDJ-MED-378a25ea-7
0.792
ALP-POS-6f6ae286-4
0.790
EDJ-MED-4f4dd660-4
0.777
EDJ-MED-378a25ea-4
0.777
EDJ-MED-378a25ea-31
0.771
EDJ-MED-378a25ea-27
0.769
EDJ-MED-378a25ea-17
0.769
EDJ-MED-4f4dd660-6
0.762
EDJ-MED-378a25ea-33
0.762
MAT-POS-4223bc15-12
0.760
EDJ-MED-378a25ea-3
0.755
EDJ-MED-378a25ea-13
0.755
EDJ-MED-378a25ea-29
0.755
MAT-POS-b4d6b7fc-9
0.750
MAT-POS-81ae2990-9
0.750
EDJ-MED-378a25ea-15
0.748
MAT-POS-5cd9ea36-5
0.745
MAT-POS-bf364d7a-9
0.740
MAT-POS-bf364d7a-10
0.740
PET-UNK-19e211a9-5
0.740
PET-UNK-19e211a9-6
0.740
MAT-POS-5cd9ea36-6
0.740
EDJ-MED-378a25ea-12
0.735
JOH-SUS-07b743f6-3
0.733
PET-UNK-19e211a9-9
0.731
MAT-POS-e36d57d9-1
0.731
MAT-POS-2e8b2191-9
0.731
EDJ-MED-378a25ea-26
0.731
EDJ-MED-378a25ea-10
0.728
PET-UNK-c6bcc80b-1
0.726
PET-UNK-c6bcc80b-8
0.726
PET-UNK-19e211a9-8
0.724
MAT-POS-bf364d7a-12
0.717
MAT-POS-bf364d7a-11
0.717
MAT-POS-5cd9ea36-7
0.717
MAT-POS-97ec4bd1-2
0.714
MAT-POS-78ab8081-6
0.714
PET-UNK-19e211a9-10
0.714
PET-UNK-19e211a9-7
0.708
PET-UNK-19e211a9-4
0.706
MAT-POS-dc2604c4-3
0.702
ALP-POS-07e1ed01-1
0.702
MAT-POS-777f5926-4
0.702
MAT-POS-777f5926-3
0.702
EDJ-MED-378a25ea-24
0.701
EDJ-MED-378a25ea-2
0.701
MAT-POS-78ab8081-4
0.701
EDJ-MED-378a25ea-6
0.701
EDJ-MED-378a25ea-22
0.701
PET-UNK-615ad708-1
0.699
PET-UNK-19e211a9-3
0.699
PET-UNK-615ad708-4
0.699
PET-UNK-19e211a9-2
0.696
XIA-UNK-284f966f-1
0.696
PET-UNK-94036022-8
0.696
MAT-POS-bfd29aac-2
0.696
PET-UNK-94036022-1
0.696
ALP-POS-07e1ed01-2
0.695
EDJ-MED-378a25ea-20
0.694
EDJ-MED-378a25ea-8
0.694
ALE-ALC-b4762a05-1
0.692
ALE-ALC-1b189c66-1
0.692
ALE-ALC-3d276b90-1
0.692
EDJ-MED-378a25ea-28
0.688
EDJ-MED-378a25ea-32
0.688
MAT-POS-bfd29aac-1
0.683
PET-UNK-19e211a9-1
0.683
MAT-POS-b4d6b7fc-8
0.683
MAT-POS-81ae2990-7
0.683
PET-UNK-ff046148-2
0.680
JOH-SUS-07b743f6-6
0.680
MAT-POS-81ae2990-8
0.676
EDJ-MED-378a25ea-19
0.676
EDJ-MED-378a25ea-5
0.676
EDJ-MED-378a25ea-30
0.676
EDJ-MED-378a25ea-34
0.676
ALE-ALC-e1a61ec1-1
0.673