Molecule Details
| Molecular Properties | |
| SMILES: | N#CCC1(CS(=O)(=O)N2Cc3ccc(Cl)cc3C3(CCN(c4cncc5ccccc45)C3=O)C2)CC1 |
| MW: | 520.13 |
| Fraction sp3: | 0.37 |
| HBA: | 5 |
| HBD: | 0 |
| Rotatable Bonds: | 5 |
| TPSA: | 94.37 |
| cLogP: | 4.4 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Activity Data | |
| IC50 (µM) - Fluorescence: | 0.336860713259794 |
| Order Status | |
| Ordered: | 2021-11-07 |
| Synthesis Location: | enamine |
| Shipped: | 2022-01-12 |
Hetero_hetero
EDJ-MED-accc2c4d-3
0.810
ALP-POS-ecbed2ba-4
0.804
EDJ-MED-8bb691af-6
0.804
MIK-ENA-5d9157e9-1
0.804
MIK-ENA-5d9157e9-2
0.804
ALP-POS-ecbed2ba-8
0.788
EDJ-MED-4138fde9-7
0.783
EDJ-MED-accc2c4d-1
0.777
PET-UNK-94036022-2
0.777
PET-UNK-94036022-9
0.777
PET-UNK-94036022-10
0.775
PET-UNK-94036022-3
0.775
ALP-POS-ecbed2ba-3
0.775
ALP-POS-ecbed2ba-15
0.774
ALP-POS-ecbed2ba-11
0.745
EDJ-MED-5cd3920d-5
0.745
EDJ-MED-5cd3920d-6
0.745
VLA-UNK-61877630-10
0.745
ALP-POS-ecbed2ba-6
0.745
ALP-POS-ecbed2ba-2
0.739
ALP-POS-ecbed2ba-1
0.738
ALP-POS-ecbed2ba-13
0.738
EDJ-MED-3707c4bc-2
0.724
EDJ-MED-3707c4bc-1
0.724
ALP-POS-ecbed2ba-20
0.716
ALP-POS-ecbed2ba-17
0.713
ALP-POS-ecbed2ba-5
0.713
EDJ-MED-4138fde9-8
0.710
EDJ-MED-7587a9ee-3
0.696
ALP-POS-ecbed2ba-16
0.694
LUO-POS-ed2cfb03-2
0.692
EDJ-MED-accc2c4d-4
0.692
EDJ-MED-4138fde9-9
0.691
ALP-POS-ecbed2ba-9
0.688
ALP-POS-133e7cd9-2
0.685
LUO-POS-ed2cfb03-1
0.682
ALP-POS-ecbed2ba-18
0.676
EDJ-MED-accc2c4d-2
0.673
ALP-POS-ecbed2ba-10
0.664
ALP-POS-ecbed2ba-19
0.658
VLA-UNK-61877630-8
0.649
VLA-UNK-e334495f-2
0.649
EDJ-MED-b6c6ee2b-4
0.649
ALP-POS-ecbed2ba-21
0.640
ALP-POS-c3a90b22-7
0.628
MAT-POS-853c0ffa-13
0.621
LUO-POS-e1dab717-19
0.606
ALP-POS-ecbed2ba-14
0.605
MAT-POS-853c0ffa-15
0.605
MAT-POS-853c0ffa-21
0.603
MIK-ENA-bb7b6957-1
0.600
EDJ-MED-5cd3920d-2
0.600
EDJ-MED-b6c6ee2b-3
0.600
MIK-ENA-60569a44-1
0.600
MAT-POS-853c0ffa-22
0.598
MAT-POS-853c0ffa-11
0.595
MAT-POS-38eb6498-2
0.593
EDJ-MED-40e596c8-1
0.593
EDJ-MED-ee81482e-2
0.592
EDJ-MED-7587a9ee-2
0.591
MAT-POS-853c0ffa-5
0.590
MAT-POS-1d5ab790-1
0.590
MAT-POS-69786b79-4
0.590
EDJ-MED-ee81482e-1
0.589
PET-UNK-143b31ee-1
0.588
PET-UNK-143b31ee-4
0.588
VLA-UNK-3bd6fc51-1
0.586
EDJ-MED-5cd3920d-1
0.585
VLA-UNK-61877630-7
0.585
VLA-UNK-e334495f-1
0.585
MAT-POS-853c0ffa-20
0.583
MIK-ENA-8063e9dc-1
0.583
LUO-POS-8484f2d3-1
0.583
LUO-POS-8484f2d3-2
0.583
MIK-ENA-7066949b-1
0.583
MAT-POS-853c0ffa-9
0.583
MAT-POS-38eb6498-1
0.583
MAT-POS-40ad851a-2
0.581
MAT-POS-853c0ffa-6
0.581
LUO-POS-868e8996-11
0.580
EDJ-MED-8bb691af-4
0.580
MAT-POS-c7726e07-5
0.580
LUO-POS-868e8996-12
0.580
MAT-POS-c7726e07-6
0.580
MAT-POS-1a788f51-2
0.579
MAT-POS-69786b79-1
0.579
MAT-POS-576f7758-1
0.579
MAT-POS-566864e2-3
0.579
MAT-POS-566864e2-4
0.579
LUO-POS-e1dab717-1
0.579
ALP-POS-ecbed2ba-7
0.579
MAT-POS-40ad851a-4
0.578
LUO-POS-d1147590-1
0.578
MAT-POS-1a788f51-1
0.576
MAT-POS-853c0ffa-14
0.575
ALP-POS-c3a90b22-6
0.574
EDJ-MED-ee81482e-4
0.574
MAT-POS-40ad851a-3
0.574
MAT-POS-853c0ffa-17
0.573
PET-UNK-df7eb4e6-7
0.571