Molecular Properties | |
SMILES: | N#CC1(CS(=O)(=O)N2Cc3ccc(Cl)cc3C3(CCN(c4cncc5ccccc45)C3=O)C2)CCC1 |
MW: | 520.13 |
Fraction sp3: | 0.37 |
HBA: | 5 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 94.37 |
cLogP: | 4.4 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 0.262697733725167 |
Order Status | |
Ordered: | 2021-11-07 |
Synthesis Location: | enamine |
Shipped: | 2021-12-13 |
Hetero_hetero
ALP-POS-ecbed2ba-15
0.958
ALP-POS-ecbed2ba-4
0.936
MIK-ENA-5d9157e9-1
0.936
EDJ-MED-8bb691af-6
0.936
MIK-ENA-5d9157e9-2
0.936
ALP-POS-ecbed2ba-11
0.863
ALP-POS-ecbed2ba-2
0.854
EDJ-MED-4138fde9-7
0.851
PET-UNK-94036022-9
0.828
PET-UNK-94036022-2
0.828
ALP-POS-133e7cd9-2
0.814
ALP-POS-ecbed2ba-3
0.790
PET-UNK-94036022-3
0.790
PET-UNK-94036022-10
0.790
EDJ-MED-accc2c4d-3
0.790
ALP-POS-ecbed2ba-22
0.788
EDJ-MED-accc2c4d-1
0.775
VLA-UNK-61877630-10
0.760
ALP-POS-ecbed2ba-6
0.760
EDJ-MED-5cd3920d-5
0.760
EDJ-MED-5cd3920d-6
0.760
EDJ-MED-b6c6ee2b-4
0.757
ALP-POS-ecbed2ba-13
0.752
ALP-POS-ecbed2ba-1
0.752
VLA-UNK-61877630-8
0.738
VLA-UNK-e334495f-2
0.738
EDJ-MED-3707c4bc-1
0.738
EDJ-MED-3707c4bc-2
0.738
ALP-POS-ecbed2ba-5
0.726
EDJ-MED-4138fde9-8
0.724
MAT-POS-853c0ffa-13
0.722
EDJ-MED-accc2c4d-4
0.721
ALP-POS-ecbed2ba-20
0.713
EDJ-MED-7587a9ee-3
0.710
LUO-POS-ed2cfb03-2
0.706
EDJ-MED-4138fde9-9
0.704
MAT-POS-853c0ffa-15
0.703
ALP-POS-c3a90b22-7
0.701
MIK-ENA-bb7b6957-1
0.696
EDJ-MED-5cd3920d-2
0.696
EDJ-MED-b6c6ee2b-3
0.696
MIK-ENA-60569a44-1
0.696
ALP-POS-ecbed2ba-17
0.694
MAT-POS-853c0ffa-11
0.690
MAT-POS-38eb6498-2
0.687
ALP-POS-ecbed2ba-9
0.685
EDJ-MED-accc2c4d-2
0.685
PET-UNK-143b31ee-1
0.685
PET-UNK-143b31ee-4
0.685
VLA-UNK-61877630-7
0.682
VLA-UNK-e334495f-1
0.682
EDJ-MED-ee81482e-1
0.681
MAT-POS-853c0ffa-6
0.679
EDJ-MED-5cd3920d-1
0.678
ALP-POS-ecbed2ba-16
0.676
ALP-POS-ecbed2ba-18
0.673
MAT-POS-1d5ab790-1
0.673
MAT-POS-853c0ffa-5
0.673
LUO-POS-8484f2d3-1
0.672
MAT-POS-853c0ffa-9
0.672
MAT-POS-38eb6498-1
0.672
MIK-ENA-8063e9dc-1
0.672
LUO-POS-8484f2d3-2
0.672
MIK-ENA-7066949b-1
0.672
EDJ-MED-ee81482e-2
0.669
ALP-POS-ecbed2ba-21
0.667
MAT-POS-40ad851a-4
0.667
PET-UNK-df7eb4e6-3
0.667
PET-UNK-df7eb4e6-7
0.667
MAT-POS-1a788f51-1
0.667
MAT-POS-1bed62cf-1
0.664
ALP-POS-01611061-3
0.664
LUO-POS-868e8996-9
0.664
LUO-POS-868e8996-10
0.664
LUO-POS-ed2cfb03-1
0.664
EDJ-MED-ee81482e-4
0.661
MAT-POS-40ad851a-3
0.661
LUO-POS-e1dab717-15
0.661
MAT-POS-40ad851a-2
0.656
MAT-POS-1a788f51-2
0.655
ALP-POS-ecbed2ba-19
0.655
EDJ-MED-468565e0-1
0.653
LUO-POS-d1147590-1
0.653
LUO-POS-f7b1afe6-1
0.651
ALP-POS-01611061-2
0.651
EDJ-MED-4138fde9-1
0.650
ALP-POS-ecbed2ba-10
0.645
PET-UNK-c6bcc80b-4
0.644
PET-UNK-c6bcc80b-11
0.644
MAT-POS-40ad851a-5
0.642
MAT-POS-1a788f51-3
0.642
PET-UNK-143b31ee-2
0.640
PET-UNK-143b31ee-5
0.640
LUO-POS-e1dab717-16
0.640
EDJ-MED-468565e0-5
0.639
EDJ-MED-ee81482e-5
0.639
MAT-POS-e75f6e44-11
0.637
LUO-POS-e1dab717-19
0.632
EDJ-MED-ee81482e-3
0.632
MAT-POS-69786b79-4
0.628