Molecule Details
| Molecular Properties | |
| SMILES: | N#CC1(CS(=O)(=O)N2Cc3ccc(Cl)cc3C3(CCN(c4cncc5ccc(F)cc45)C3=O)C2)CC1 |
| MW: | 524.11 |
| Fraction sp3: | 0.35 |
| HBA: | 5 |
| HBD: | 0 |
| Rotatable Bonds: | 4 |
| TPSA: | 94.37 |
| cLogP: | 4.15 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Activity Data | |
| IC50 (µM) - Fluorescence: | 0.827933545513867 |
| Order Status | |
| Ordered: | 2021-11-07 |
| Synthesis Location: | enamine |
| Shipped: | 2021-12-13 |
Hetero_hetero
EDJ-MED-b6c6ee2b-4
0.848
MAT-POS-853c0ffa-21
0.806
EDJ-MED-5cd3920d-2
0.794
MAT-POS-853c0ffa-14
0.783
MIK-ENA-60569a44-1
0.778
MIK-ENA-bb7b6957-1
0.778
EDJ-MED-b6c6ee2b-3
0.778
EDJ-MED-5cd3920d-1
0.773
MAT-POS-853c0ffa-11
0.771
ALP-POS-ecbed2ba-4
0.769
EDJ-MED-8bb691af-6
0.769
MIK-ENA-5d9157e9-1
0.769
MIK-ENA-5d9157e9-2
0.769
MAT-POS-38eb6498-2
0.750
EDJ-MED-ee81482e-1
0.743
MAT-POS-1a788f51-1
0.743
EDJ-MED-ee81482e-2
0.730
MAT-POS-1a788f51-2
0.730
MAT-POS-853c0ffa-6
0.729
EDJ-MED-468565e0-5
0.726
MAT-POS-40ad851a-4
0.726
EDJ-MED-4138fde9-1
0.724
ALP-POS-ecbed2ba-8
0.722
PET-UNK-c6bcc80b-4
0.719
PET-UNK-c6bcc80b-11
0.719
MAT-POS-853c0ffa-9
0.718
MAT-POS-38eb6498-1
0.718
MIK-ENA-8063e9dc-1
0.718
LUO-POS-8484f2d3-2
0.718
MIK-ENA-7066949b-1
0.718
LUO-POS-8484f2d3-1
0.718
EDJ-MED-ee81482e-5
0.712
EDJ-MED-468565e0-1
0.712
LUO-POS-d1147590-1
0.712
ALP-POS-ecbed2ba-15
0.709
EDJ-MED-468565e0-4
0.708
EDJ-MED-ee81482e-4
0.706
MAT-POS-40ad851a-3
0.706
EDJ-MED-4138fde9-2
0.705
MAT-POS-40ad851a-5
0.700
MAT-POS-1a788f51-3
0.700
MAT-POS-40ad851a-2
0.700
ALP-POS-ecbed2ba-11
0.699
MAT-POS-1a788f51-4
0.694
MAT-POS-853c0ffa-15
0.690
EDJ-MED-ee81482e-3
0.689
EDJ-MED-468565e0-2
0.683
ALP-POS-ecbed2ba-2
0.678
EDJ-MED-468565e0-3
0.677
MAT-POS-853c0ffa-5
0.676
MAT-POS-1d5ab790-1
0.676
EDJ-MED-4138fde9-7
0.673
MAT-POS-40ad851a-1
0.672
PET-UNK-df7eb4e6-7
0.670
PET-UNK-df7eb4e6-3
0.670
PET-UNK-94036022-9
0.664
PET-UNK-94036022-2
0.664
ALP-POS-133e7cd9-2
0.655
VLA-UNK-61877630-8
0.635
VLA-UNK-e334495f-2
0.635
MAT-POS-853c0ffa-20
0.624
EDJ-MED-705e09b8-2
0.623
EDJ-MED-5cd3920d-6
0.623
VLA-UNK-61877630-10
0.623
ALP-POS-ecbed2ba-22
0.621
EDJ-MED-accc2c4d-1
0.619
ALP-POS-ecbed2ba-3
0.616
PET-UNK-94036022-3
0.616
PET-UNK-94036022-10
0.616
EDJ-MED-accc2c4d-3
0.616
EDJ-MED-5cd3920d-5
0.609
MAT-POS-853c0ffa-12
0.608
LUO-POS-b4dec3be-2
0.605
MAT-POS-b4d6b7fc-5
0.605
LUO-POS-b4dec3be-1
0.605
MIK-ENA-4bb8c98f-1
0.605
MIK-ENA-610c7cf9-1
0.605
PET-UNK-143b31ee-4
0.602
PET-UNK-143b31ee-1
0.602
MAT-POS-853c0ffa-19
0.597
ALP-POS-ecbed2ba-6
0.595
ALP-POS-ecbed2ba-13
0.590
ALP-POS-ecbed2ba-1
0.590
EDJ-MED-3707c4bc-1
0.588
MAT-POS-853c0ffa-10
0.587
MAT-POS-853c0ffa-18
0.586
VLA-UNK-61877630-7
0.585
VLA-UNK-e334495f-1
0.585
MAT-POS-853c0ffa-8
0.576
EDJ-MED-3707c4bc-2
0.574
MAT-POS-1bed62cf-1
0.568
LUO-POS-868e8996-9
0.568
LUO-POS-868e8996-10
0.568
ALP-POS-ecbed2ba-5
0.568
LUO-POS-e1dab717-15
0.567
EDJ-MED-4138fde9-8
0.564
EDJ-MED-4138fde9-9
0.563
EDJ-MED-accc2c4d-4
0.560
ALP-POS-ecbed2ba-9
0.559
ALP-POS-c3a90b22-7
0.559