Molecular Properties | |
SMILES: | N#CC1(CS(=O)(=O)N2Cc3ccc(Cl)cc3C(C(=O)Nc3cncc4ccc(F)cc34)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: | 0.13661268990618 |
Order Status | |
Ordered: | 2021-10-05 |
Synthesis Location: | enamine |
Shipped: | 2021-11-10 |
Hetero_hetero
MAT-POS-81ae2990-9
1.000
MAT-POS-81ae2990-3
0.808
EDJ-MED-378a25ea-12
0.802
EDJ-MED-378a25ea-10
0.794
EDJ-MED-be9e6f63-2
0.792
EDJ-MED-7889e8da-2
0.792
MAT-POS-81ae2990-6
0.784
MAT-POS-e194df51-1
0.780
MAT-POS-e194df51-2
0.780
MAT-POS-dc2604c4-1
0.780
MAT-POS-2e8b2191-9
0.779
MAT-POS-78ab8081-6
0.779
MAT-POS-97ec4bd1-2
0.779
PET-UNK-19e211a9-9
0.779
PET-UNK-19e211a9-10
0.779
EDJ-MED-378a25ea-26
0.779
MAT-POS-e36d57d9-1
0.779
MAT-POS-78ab8081-4
0.764
EDJ-MED-378a25ea-2
0.764
EDJ-MED-378a25ea-24
0.764
EDJ-MED-378a25ea-6
0.764
EDJ-MED-378a25ea-22
0.764
EDJ-MED-378a25ea-8
0.757
EDJ-MED-378a25ea-20
0.757
ALP-POS-6f6ae286-4
0.752
EDJ-MED-378a25ea-30
0.752
EDJ-MED-378a25ea-28
0.750
EDJ-MED-7889e8da-4
0.750
EDJ-MED-be9e6f63-4
0.750
MAT-POS-4223bc15-12
0.740
PET-UNK-19e211a9-5
0.738
PET-UNK-19e211a9-6
0.738
EDJ-MED-378a25ea-5
0.736
EDJ-MED-378a25ea-19
0.736
EDJ-MED-378a25ea-34
0.736
EDJ-MED-378a25ea-14
0.730
EDJ-MED-378a25ea-16
0.730
MAT-POS-5cd9ea36-5
0.726
PET-UNK-c6bcc80b-8
0.725
PET-UNK-c6bcc80b-1
0.725
MAT-POS-81ae2990-8
0.724
MAT-POS-78ab8081-2
0.723
PET-UNK-03fd2068-3
0.722
EDJ-MED-378a25ea-32
0.717
PET-UNK-19e211a9-7
0.706
PET-UNK-19e211a9-8
0.706
MAT-POS-5cd9ea36-6
0.706
MAT-POS-bf364d7a-9
0.706
MAT-POS-bf364d7a-10
0.706
EDJ-MED-378a25ea-25
0.704
EDJ-MED-be9e6f63-3
0.704
MAT-POS-c7726e07-7
0.704
MAT-POS-c7726e07-8
0.704
EDJ-MED-7889e8da-6
0.701
EDJ-MED-378a25ea-9
0.701
MAT-POS-bf364d7a-11
0.700
EDJ-MED-841e0cf0-5
0.700
MAT-POS-5cd9ea36-7
0.700
EDJ-MED-670ad2ee-5
0.700
EDJ-MED-670ad2ee-9
0.700
MAT-POS-bf364d7a-12
0.700
EDJ-MED-841e0cf0-7
0.700
EDJ-MED-670ad2ee-6
0.700
EDJ-MED-670ad2ee-10
0.700
JOH-SUS-07b743f6-3
0.698
EDJ-MED-378a25ea-18
0.697
EDJ-MED-378a25ea-11
0.694
EDJ-MED-841e0cf0-6
0.693
EDJ-MED-670ad2ee-7
0.693
EDJ-MED-670ad2ee-8
0.693
MAT-POS-22373164-2
0.691
EDJ-MED-be9e6f63-1
0.688
MAT-POS-777f5926-4
0.685
ALP-POS-07e1ed01-1
0.685
MAT-POS-dc2604c4-3
0.685
MAT-POS-777f5926-3
0.685
EDJ-MED-378a25ea-1
0.682
EDJ-MED-378a25ea-21
0.682
PET-UNK-94036022-8
0.679
XIA-UNK-284f966f-1
0.679
PET-UNK-94036022-1
0.679
ALP-POS-07e1ed01-2
0.679
MAT-POS-22373164-4
0.679
MAT-POS-22373164-3
0.679
BRU-THA-4b053743-1
0.676
ALP-POS-c56c1477-1
0.676
ALE-ALC-3d276b90-1
0.676
MAT-POS-22373164-1
0.676
EDJ-MED-378a25ea-23
0.676
EDJ-MED-4f4dd660-2
0.676
EDJ-MED-378a25ea-7
0.676
PET-UNK-19e211a9-4
0.673
PET-UNK-615ad708-4
0.667
PET-UNK-615ad708-1
0.667
PET-UNK-19e211a9-3
0.667
EDJ-MED-4f4dd660-4
0.664
EDJ-MED-378a25ea-4
0.664
JOH-UNI-2440d4f3-4
0.664
PET-UNK-19e211a9-2
0.664
MAT-POS-bfd29aac-2
0.664