Molecular Properties | |
SMILES: | N#CC1(CS(=O)(=O)N2Cc3ccc(Cl)cc3C3(CCN(c4cncc5c4CCCC5)C3=O)C2)CC1 |
MW: | 510.15 |
Fraction sp3: | 0.5 |
HBA: | 5 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 94.37 |
cLogP: | 3.74 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 0.514550866659664 |
Order Status | |
Ordered: | 2021-11-07 |
Synthesis Location: | enamine |
Shipped: | 2021-12-08 |
Hetero_hetero
EDJ-MED-b6c6ee2b-4
0.651
EDJ-MED-8bb691af-6
0.645
MIK-ENA-5d9157e9-2
0.645
ALP-POS-ecbed2ba-4
0.645
MIK-ENA-5d9157e9-1
0.645
MAT-POS-853c0ffa-6
0.640
MAT-POS-1d5ab790-1
0.634
MAT-POS-853c0ffa-5
0.634
PET-UNK-df7eb4e6-3
0.628
PET-UNK-df7eb4e6-7
0.628
MAT-POS-853c0ffa-13
0.623
ALP-POS-ecbed2ba-8
0.619
EDJ-MED-d4864bdc-1
0.618
MAT-POS-853c0ffa-11
0.610
ALP-POS-ecbed2ba-15
0.609
MAT-POS-853c0ffa-15
0.607
EDJ-MED-705e09b8-1
0.604
MIK-UNK-1619f2e2-1
0.604
MIK-UNK-122557fa-1
0.604
MIK-ENA-bb7b6957-1
0.602
EDJ-MED-5cd3920d-2
0.602
EDJ-MED-b6c6ee2b-3
0.602
MIK-ENA-60569a44-1
0.602
MAT-POS-38eb6498-2
0.595
EDJ-MED-5cd3920d-1
0.587
PET-UNK-c6bcc80b-4
0.582
PET-UNK-c6bcc80b-11
0.582
EDJ-MED-ee81482e-5
0.579
EDJ-MED-ee81482e-1
0.577
MAT-POS-1a788f51-1
0.577
ALP-POS-ecbed2ba-11
0.575
ALP-POS-133e7cd9-2
0.573
ALP-POS-ecbed2ba-2
0.570
MAT-POS-1a788f51-2
0.568
EDJ-MED-ee81482e-2
0.568
EDJ-MED-468565e0-1
0.567
EDJ-MED-4138fde9-1
0.563
EDJ-MED-4138fde9-7
0.563
MAT-POS-40ad851a-3
0.562
LUO-POS-8484f2d3-1
0.559
MAT-POS-853c0ffa-9
0.559
MAT-POS-38eb6498-1
0.559
MIK-ENA-8063e9dc-1
0.559
LUO-POS-8484f2d3-2
0.559
MIK-ENA-7066949b-1
0.559
MAT-POS-40ad851a-5
0.558
MAT-POS-1a788f51-3
0.558
MAT-POS-40ad851a-2
0.558
LUO-POS-d1147590-1
0.555
MAT-POS-40ad851a-4
0.555
EDJ-MED-468565e0-5
0.555
PET-UNK-94036022-9
0.552
PET-UNK-94036022-2
0.552
EDJ-MED-ee81482e-4
0.550
EDJ-MED-468565e0-2
0.545
MAT-POS-1a788f51-4
0.542
EDJ-MED-468565e0-4
0.542
EDJ-MED-ee81482e-3
0.538
MAT-POS-40ad851a-1
0.537
PET-UNK-143b31ee-1
0.537
PET-UNK-143b31ee-4
0.537
EDJ-MED-468565e0-3
0.530
EDJ-MED-4138fde9-2
0.530
PET-UNK-94036022-3
0.521
PET-UNK-94036022-10
0.521
ALP-POS-ecbed2ba-22
0.516
EDJ-MED-accc2c4d-1
0.513
MAT-POS-853c0ffa-8
0.512
ALP-POS-ecbed2ba-3
0.508
EDJ-MED-accc2c4d-3
0.508
MAT-POS-853c0ffa-18
0.508
LUO-POS-868e8996-9
0.504
LUO-POS-868e8996-10
0.504
ALP-POS-ecbed2ba-6
0.504
MAT-POS-1bed62cf-1
0.504
VLA-UNK-61877630-8
0.504
VLA-UNK-e334495f-2
0.504
MAT-POS-853c0ffa-7
0.500
PET-UNK-143b31ee-2
0.500
PET-UNK-143b31ee-5
0.500
EDJ-MED-d4864bdc-2
0.500
MAT-POS-853c0ffa-17
0.496
LUO-POS-e1dab717-15
0.492
VLA-UNK-61877630-10
0.492
EDJ-MED-5cd3920d-5
0.492
EDJ-MED-5cd3920d-6
0.492
MAT-POS-853c0ffa-14
0.488
LUO-POS-e1dab717-16
0.488
MAT-POS-853c0ffa-21
0.488
ALP-POS-ecbed2ba-13
0.488
ALP-POS-ecbed2ba-1
0.488
MAT-POS-853c0ffa-12
0.484
MAT-POS-853c0ffa-20
0.484
MAT-POS-853c0ffa-22
0.484
PET-UNK-df7eb4e6-4
0.484
PET-UNK-df7eb4e6-8
0.484
MAT-POS-853c0ffa-16
0.480
VLA-UNK-61877630-7
0.472
VLA-UNK-e334495f-1
0.472
EDJ-MED-3707c4bc-1
0.471