Molecular Properties | |
SMILES: | N#CC1(CS(=O)(=O)N2Cc3ccc(Cl)cc3C3(CCN(c4cncc5cc(F)cc(Cl)c45)C3=O)C2)CC1 |
MW: | 558.07 |
Fraction sp3: | 0.35 |
HBA: | 5 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 94.37 |
cLogP: | 4.8 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 23.8095474039447 |
Order Status | |
Ordered: | 2021-11-07 |
Synthesis Location: | enamine |
Shipped: | 2021-12-29 |
Hetero_hetero
MAT-POS-853c0ffa-5
0.812
MAT-POS-1d5ab790-1
0.812
MAT-POS-853c0ffa-18
0.810
MAT-POS-853c0ffa-8
0.794
MAT-POS-853c0ffa-13
0.729
ALP-POS-ecbed2ba-4
0.724
EDJ-MED-8bb691af-6
0.724
MIK-ENA-5d9157e9-1
0.724
MIK-ENA-5d9157e9-2
0.724
EDJ-MED-b6c6ee2b-4
0.714
ALP-POS-ecbed2ba-8
0.679
EDJ-MED-5cd3920d-2
0.673
ALP-POS-ecbed2ba-15
0.667
EDJ-MED-b6c6ee2b-3
0.658
MIK-ENA-60569a44-1
0.658
MIK-ENA-bb7b6957-1
0.658
PET-UNK-df7eb4e6-3
0.658
PET-UNK-df7eb4e6-7
0.658
EDJ-MED-5cd3920d-1
0.655
MAT-POS-853c0ffa-11
0.652
LUO-POS-8484f2d3-2
0.650
MIK-ENA-7066949b-1
0.650
MAT-POS-853c0ffa-9
0.650
MAT-POS-38eb6498-1
0.650
LUO-POS-8484f2d3-1
0.650
MIK-ENA-8063e9dc-1
0.650
PET-UNK-c6bcc80b-4
0.650
MAT-POS-38eb6498-2
0.650
PET-UNK-c6bcc80b-11
0.650
MAT-POS-853c0ffa-15
0.649
MAT-POS-853c0ffa-17
0.645
MAT-POS-40ad851a-4
0.645
EDJ-MED-468565e0-5
0.645
MAT-POS-1a788f51-1
0.644
ALP-POS-ecbed2ba-11
0.643
EDJ-MED-705e09b8-2
0.640
ALP-POS-ecbed2ba-2
0.638
MAT-POS-853c0ffa-7
0.634
MAT-POS-1a788f51-2
0.633
EDJ-MED-4138fde9-7
0.632
EDJ-MED-468565e0-1
0.631
EDJ-MED-ee81482e-1
0.630
EDJ-MED-468565e0-4
0.629
ALP-POS-133e7cd9-2
0.628
EDJ-MED-4138fde9-1
0.628
PET-UNK-94036022-2
0.622
PET-UNK-94036022-9
0.622
MAT-POS-40ad851a-5
0.621
MAT-POS-40ad851a-2
0.621
EDJ-MED-ee81482e-2
0.620
EDJ-MED-ee81482e-5
0.618
MAT-POS-1a788f51-4
0.616
MAT-POS-40ad851a-3
0.613
EDJ-MED-ee81482e-3
0.611
VLA-UNK-e334495f-2
0.609
VLA-UNK-61877630-8
0.609
MAT-POS-1a788f51-3
0.608
EDJ-MED-468565e0-2
0.606
LUO-POS-d1147590-1
0.605
EDJ-MED-468565e0-3
0.602
EDJ-MED-4138fde9-2
0.602
EDJ-MED-ee81482e-4
0.600
MAT-POS-40ad851a-1
0.585
ALP-POS-ecbed2ba-22
0.581
MAT-POS-853c0ffa-21
0.578
MAT-POS-853c0ffa-14
0.576
PET-UNK-143b31ee-1
0.576
PET-UNK-143b31ee-4
0.576
PET-UNK-94036022-10
0.575
EDJ-MED-accc2c4d-3
0.575
ALP-POS-ecbed2ba-3
0.575
PET-UNK-94036022-3
0.575
EDJ-MED-5cd3920d-5
0.569
ALP-POS-ecbed2ba-6
0.569
EDJ-MED-5cd3920d-6
0.569
VLA-UNK-61877630-10
0.569
EDJ-MED-accc2c4d-1
0.565
LUO-POS-868e8996-9
0.556
MAT-POS-1bed62cf-1
0.556
LUO-POS-868e8996-10
0.556
ALP-POS-ecbed2ba-1
0.551
ALP-POS-ecbed2ba-13
0.551
EDJ-MED-3707c4bc-1
0.548
VLA-UNK-61877630-7
0.546
VLA-UNK-e334495f-1
0.546
LUO-POS-e1dab717-15
0.542
MAT-POS-853c0ffa-10
0.539
PET-UNK-143b31ee-2
0.537
PET-UNK-143b31ee-5
0.537
MAT-POS-853c0ffa-19
0.535
EDJ-MED-accc2c4d-4
0.534
EDJ-MED-3707c4bc-2
0.534
ALP-POS-c3a90b22-7
0.534
ALP-POS-ecbed2ba-5
0.529
EDJ-MED-4138fde9-8
0.525
LUO-POS-e1dab717-16
0.525
MAT-POS-853c0ffa-22
0.521
MAT-POS-853c0ffa-20
0.520
MAT-POS-853c0ffa-12
0.520
EDJ-MED-7587a9ee-3
0.518