Molecular Properties | |
SMILES: | N#CC1(CS(=O)(=O)N2Cc3ccc(Cl)cc3C3(CCN(c4cncc5ccccc45)C3=O)C2)CCS(=O)(=O)CC1 |
MW: | 598.11 |
Fraction sp3: | 0.39 |
HBA: | 7 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 128.51 |
cLogP: | 3.43 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 0.210882671886221 |
Order Status | |
Ordered: | 2021-11-07 |
Synthesis Location: | enamine |
Shipped: | 2022-01-12 |
Hetero_hetero
MIK-ENA-5d9157e9-1
0.871
MIK-ENA-5d9157e9-2
0.871
ALP-POS-ecbed2ba-4
0.871
EDJ-MED-8bb691af-6
0.871
ALP-POS-ecbed2ba-15
0.856
ALP-POS-ecbed2ba-8
0.854
EDJ-MED-4138fde9-7
0.813
ALP-POS-ecbed2ba-11
0.807
PET-UNK-94036022-2
0.790
PET-UNK-94036022-9
0.790
ALP-POS-ecbed2ba-1
0.752
ALP-POS-133e7cd9-2
0.745
ALP-POS-ecbed2ba-22
0.739
ALP-POS-ecbed2ba-3
0.738
PET-UNK-94036022-3
0.738
PET-UNK-94036022-10
0.738
EDJ-MED-accc2c4d-3
0.738
ALP-POS-ecbed2ba-5
0.727
EDJ-MED-accc2c4d-1
0.725
ALP-POS-ecbed2ba-6
0.712
EDJ-MED-5cd3920d-5
0.712
EDJ-MED-5cd3920d-6
0.712
VLA-UNK-61877630-10
0.712
EDJ-MED-b6c6ee2b-4
0.709
ALP-POS-ecbed2ba-13
0.705
VLA-UNK-61877630-8
0.693
VLA-UNK-e334495f-2
0.693
EDJ-MED-3707c4bc-1
0.691
EDJ-MED-3707c4bc-2
0.691
EDJ-MED-4138fde9-8
0.679
MAT-POS-853c0ffa-13
0.678
EDJ-MED-accc2c4d-4
0.676
MIK-ENA-60569a44-1
0.669
MIK-ENA-bb7b6957-1
0.669
EDJ-MED-b6c6ee2b-3
0.669
MAT-POS-853c0ffa-11
0.664
EDJ-MED-7587a9ee-3
0.664
MAT-POS-853c0ffa-15
0.661
EDJ-MED-4138fde9-9
0.661
LUO-POS-ed2cfb03-2
0.661
ALP-POS-c3a90b22-7
0.658
EDJ-MED-5cd3920d-2
0.655
ALP-POS-ecbed2ba-17
0.652
ALP-POS-ecbed2ba-20
0.651
MAT-POS-38eb6498-2
0.648
MAT-POS-853c0ffa-5
0.647
MAT-POS-1d5ab790-1
0.647
EDJ-MED-ee81482e-2
0.645
PET-UNK-143b31ee-1
0.644
PET-UNK-143b31ee-4
0.644
EDJ-MED-accc2c4d-2
0.643
ALP-POS-ecbed2ba-9
0.643
MAT-POS-40ad851a-4
0.643
EDJ-MED-ee81482e-1
0.642
VLA-UNK-61877630-7
0.641
VLA-UNK-e334495f-1
0.641
EDJ-MED-5cd3920d-1
0.639
EDJ-MED-468565e0-3
0.638
MAT-POS-853c0ffa-6
0.638
LUO-POS-ed2cfb03-1
0.637
ALP-POS-ecbed2ba-16
0.636
MAT-POS-853c0ffa-9
0.635
MAT-POS-38eb6498-1
0.635
MIK-ENA-8063e9dc-1
0.635
LUO-POS-8484f2d3-1
0.635
LUO-POS-8484f2d3-2
0.635
MIK-ENA-7066949b-1
0.635
ALP-POS-ecbed2ba-18
0.632
LUO-POS-d1147590-1
0.630
MAT-POS-1a788f51-1
0.629
PET-UNK-df7eb4e6-3
0.627
PET-UNK-df7eb4e6-7
0.627
EDJ-MED-ee81482e-4
0.625
LUO-POS-868e8996-10
0.624
LUO-POS-868e8996-9
0.624
MAT-POS-1bed62cf-1
0.624
PET-UNK-c6bcc80b-4
0.621
PET-UNK-c6bcc80b-11
0.621
MAT-POS-40ad851a-2
0.620
MAT-POS-1a788f51-2
0.619
ALP-POS-ecbed2ba-19
0.615
EDJ-MED-4138fde9-1
0.614
ALP-POS-ecbed2ba-21
0.613
MAT-POS-40ad851a-3
0.612
LUO-POS-f7b1afe6-1
0.612
ALP-POS-01611061-2
0.612
LUO-POS-e1dab717-15
0.608
MAT-POS-40ad851a-5
0.608
ALP-POS-ecbed2ba-10
0.607
EDJ-MED-ee81482e-5
0.605
EDJ-MED-468565e0-1
0.605
EDJ-MED-468565e0-5
0.605
PET-UNK-143b31ee-2
0.603
PET-UNK-143b31ee-5
0.603
EDJ-MED-7e491f08-1
0.602
EDJ-MED-ee81482e-3
0.598
ALP-POS-01611061-3
0.597
MAT-POS-1a788f51-3
0.595
MAT-POS-1a788f51-4
0.591
EDJ-MED-468565e0-4
0.591