Molecular Properties | |
SMILES: | CC1(CS(=O)(=O)N2Cc3ccc(Cl)cc3C3(CCN(c4cncc5ccccc45)C3=O)C2)CC1 |
MW: | 495.14 |
Fraction sp3: | 0.38 |
HBA: | 4 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 70.58 |
cLogP: | 4.51 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 0.265301853353024 |
Order Status | |
Ordered: | 2021-11-07 |
Synthesis Location: | enamine |
Shipped: | 2021-12-13 |
Hetero_hetero
ALP-POS-ecbed2ba-1
0.865
PET-UNK-94036022-10
0.832
PET-UNK-94036022-3
0.832
ALP-POS-ecbed2ba-6
0.816
PET-UNK-94036022-9
0.814
PET-UNK-94036022-2
0.814
EDJ-MED-8bb691af-6
0.806
ALP-POS-ecbed2ba-4
0.806
MIK-ENA-5d9157e9-1
0.806
MIK-ENA-5d9157e9-2
0.806
VLA-UNK-61877630-10
0.798
EDJ-MED-5cd3920d-6
0.798
EDJ-MED-5cd3920d-5
0.798
EDJ-MED-3707c4bc-1
0.794
EDJ-MED-3707c4bc-2
0.794
ALP-POS-ecbed2ba-8
0.790
EDJ-MED-7587a9ee-3
0.785
EDJ-MED-4138fde9-7
0.784
EDJ-MED-accc2c4d-3
0.776
ALP-POS-ecbed2ba-22
0.775
ALP-POS-ecbed2ba-15
0.775
MAT-POS-853c0ffa-21
0.772
MAT-POS-853c0ffa-22
0.765
EDJ-MED-accc2c4d-1
0.760
EDJ-MED-4138fde9-8
0.760
ALP-POS-ecbed2ba-13
0.755
ALP-POS-ecbed2ba-11
0.745
ALP-POS-ecbed2ba-5
0.745
MAT-POS-853c0ffa-20
0.743
LUO-POS-ed2cfb03-2
0.742
ALP-POS-ecbed2ba-2
0.738
EDJ-MED-4138fde9-9
0.738
ALP-POS-ecbed2ba-20
0.732
ALP-POS-ecbed2ba-18
0.723
MAT-POS-853c0ffa-18
0.718
MAT-POS-853c0ffa-17
0.718
LUO-POS-ed2cfb03-1
0.713
EDJ-MED-accc2c4d-4
0.706
MAT-POS-853c0ffa-19
0.705
ALP-POS-ecbed2ba-19
0.702
ALP-POS-ecbed2ba-17
0.695
ALP-POS-ecbed2ba-10
0.692
ALP-POS-ecbed2ba-21
0.682
ALP-POS-133e7cd9-2
0.682
ALP-POS-ecbed2ba-16
0.676
EDJ-MED-accc2c4d-2
0.670
ALP-POS-ecbed2ba-9
0.670
EDJ-MED-7587a9ee-2
0.663
EDJ-MED-40e596c8-1
0.648
LUO-POS-e1dab717-19
0.647
EDJ-MED-b6c6ee2b-4
0.645
EDJ-MED-6b23330e-5
0.639
MAT-POS-e75f6e44-4
0.639
MAT-POS-c7726e07-5
0.635
LUO-POS-868e8996-11
0.635
LUO-POS-868e8996-12
0.635
MAT-POS-c7726e07-6
0.635
EDJ-MED-8bb691af-4
0.635
LUO-POS-e1dab717-1
0.632
MAT-POS-566864e2-3
0.632
MAT-POS-566864e2-4
0.632
ALP-POS-ecbed2ba-7
0.632
MAT-POS-576f7758-1
0.632
MAT-POS-69786b79-1
0.632
VLA-UNK-e334495f-2
0.631
VLA-UNK-61877630-8
0.631
MAT-POS-853c0ffa-15
0.628
MAT-POS-853c0ffa-16
0.628
VLA-UNK-3bd6fc51-1
0.625
MAT-POS-853c0ffa-14
0.625
ALP-POS-c3a90b22-7
0.624
MAT-POS-69786b79-3
0.620
EDJ-MED-cc48ee33-3
0.620
MAT-POS-853c0ffa-13
0.616
MAT-POS-e75f6e44-19
0.613
ALP-POS-c3a90b22-6
0.611
EDJ-MED-6b23330e-1
0.609
EDJ-MED-5cd3920d-2
0.609
MIK-ENA-bb7b6957-1
0.609
MIK-ENA-60569a44-1
0.609
EDJ-MED-b6c6ee2b-3
0.609
ALP-POS-c3a90b22-2
0.606
EDJ-MED-40e596c8-2
0.604
EDJ-MED-cc48ee33-5
0.604
MAT-POS-853c0ffa-12
0.603
MAT-POS-853c0ffa-11
0.603
MAT-POS-38eb6498-2
0.602
MIK-ENA-1494235a-1
0.600
MIK-ENA-4ed700b1-1
0.600
ALP-POS-ecbed2ba-14
0.600
EDJ-MED-cc48ee33-4
0.600
MIK-ENA-4a1c9a78-1
0.600
MAT-POS-69786b79-2
0.600
PET-UNK-143b31ee-1
0.596
PET-UNK-143b31ee-4
0.596
MAT-POS-853c0ffa-10
0.595
EDJ-MED-6b23330e-7
0.595
EDJ-MED-6b23330e-2
0.595
LUO-POS-8484f2d3-1
0.590
MIK-ENA-7066949b-1
0.590