Molecular Properties | |
SMILES: | N#CC1(CS(=O)(=O)N2Cc3ccc(Cl)cc3C(C(=O)Nc3cncc4cc(F)ccc34)C2)CC1 |
MW: | 498.09 |
Fraction sp3: | 0.29 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 103.16 |
cLogP: | 4.2 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 0.22168799177023 |
Order Status | |
Ordered: | 2021-07-06 |
Synthesis Location: | enamine |
Shipped: | 2021-09-01 |
Hetero_hetero
EDJ-MED-be9e6f63-2
1.000
ALP-POS-6f6ae286-4
0.947
EDJ-MED-be9e6f63-4
0.833
EDJ-MED-7889e8da-4
0.833
PET-UNK-ff046148-2
0.827
MAT-POS-b4d6b7fc-9
0.792
MAT-POS-81ae2990-9
0.792
EDJ-MED-7889e8da-6
0.777
EDJ-MED-378a25ea-9
0.777
MAT-POS-e194df51-1
0.772
MAT-POS-e194df51-2
0.772
MAT-POS-dc2604c4-1
0.772
EDJ-MED-378a25ea-18
0.771
EDJ-MED-378a25ea-11
0.769
EDJ-MED-be9e6f63-1
0.762
EDJ-MED-be9e6f63-3
0.762
EDJ-MED-ede277f6-10
0.762
MAT-POS-c7726e07-7
0.762
MAT-POS-c7726e07-8
0.762
EDJ-MED-378a25ea-25
0.762
EDJ-MED-378a25ea-1
0.755
EDJ-MED-378a25ea-21
0.755
PET-UNK-ff046148-3
0.750
MAT-POS-22373164-4
0.750
EDJ-MED-4f4dd660-2
0.748
EDJ-MED-378a25ea-23
0.748
MAT-POS-22373164-1
0.748
MAT-POS-22373164-2
0.748
EDJ-MED-378a25ea-7
0.748
PET-UNK-ff046148-4
0.745
PET-UNK-03fd2068-4
0.735
EDJ-MED-4f4dd660-4
0.734
EDJ-MED-378a25ea-4
0.734
MAT-POS-22373164-3
0.734
MAT-POS-4223bc15-12
0.733
PET-UNK-19e211a9-5
0.731
PET-UNK-19e211a9-6
0.731
EDJ-MED-378a25ea-29
0.730
EDJ-MED-378a25ea-17
0.727
EDJ-MED-378a25ea-27
0.727
EDJ-MED-4f4dd660-6
0.721
EDJ-MED-378a25ea-33
0.721
MAT-POS-5cd9ea36-5
0.720
PET-UNK-c6bcc80b-1
0.718
PET-UNK-c6bcc80b-8
0.718
MAT-POS-bf364d7a-9
0.716
MAT-POS-bf364d7a-10
0.716
MAT-POS-5cd9ea36-6
0.716
EDJ-MED-378a25ea-3
0.714
EDJ-MED-378a25ea-13
0.714
EDJ-MED-378a25ea-31
0.714
EDJ-MED-378a25ea-15
0.708
JOH-SUS-07b743f6-3
0.708
MAT-POS-81ae2990-8
0.701
ALP-POS-6f6ae286-6
0.698
BEN-DND-f06bfa8e-3
0.698
EDJ-MED-378a25ea-12
0.694
MAT-POS-bf364d7a-11
0.694
MAT-POS-bf364d7a-12
0.694
MAT-POS-5cd9ea36-7
0.694
EDJ-MED-378a25ea-10
0.688
PET-UNK-19e211a9-8
0.685
EDJ-MED-ede277f6-1
0.682
MAT-POS-777f5926-3
0.679
MAT-POS-777f5926-4
0.679
ALP-POS-07e1ed01-1
0.679
MAT-POS-dc2604c4-3
0.679
PET-UNK-615ad708-4
0.676
PET-UNK-19e211a9-3
0.676
PET-UNK-615ad708-1
0.676
PET-UNK-19e211a9-9
0.676
PET-UNK-19e211a9-10
0.676
MAT-POS-97ec4bd1-2
0.676
MAT-POS-78ab8081-6
0.676
EDJ-MED-378a25ea-26
0.676
MAT-POS-e36d57d9-1
0.676
MAT-POS-2e8b2191-9
0.676
XIA-UNK-284f966f-1
0.673
PET-UNK-94036022-8
0.673
PET-UNK-94036022-1
0.673
ALP-POS-07e1ed01-2
0.673
EDJ-MED-378a25ea-8
0.673
BRU-THA-4b053743-1
0.670
ALP-POS-c56c1477-1
0.670
PET-UNK-19e211a9-7
0.670
PET-UNK-19e211a9-4
0.667
EDJ-MED-378a25ea-2
0.664
MAT-POS-78ab8081-4
0.664
EDJ-MED-378a25ea-6
0.664
EDJ-MED-378a25ea-22
0.664
EDJ-MED-378a25ea-24
0.664
JOH-UNI-2440d4f3-2
0.661
PET-UNK-19e211a9-1
0.661
MAT-POS-bfd29aac-1
0.661
EDJ-MED-378a25ea-20
0.658
JOH-UNI-2440d4f3-4
0.657
JOH-SUS-07b743f6-6
0.657
PET-UNK-19e211a9-2
0.657
MAT-POS-bfd29aac-2
0.657
EDJ-MED-378a25ea-30
0.655