Molecular Properties | |
SMILES: | CN(CC#N)S(=O)(=O)N1Cc2ccc(Cl)cc2C2(CCN(c3cncc4ccccc34)C2=O)C1 |
MW: | 495.11 |
Fraction sp3: | 0.29 |
HBA: | 5 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 97.61 |
cLogP: | 3.08 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 0.406762672746597 |
Order Status | |
Ordered: | 2021-11-07 |
Synthesis Location: | enamine |
Shipped: | 2022-01-05 |
N-C-Hal or cyano methyl
cyanamide
Hetero_hetero
ALP-POS-ecbed2ba-16
0.850
ALP-POS-ecbed2ba-18
0.835
ALP-POS-ecbed2ba-19
0.810
ALP-POS-ecbed2ba-21
0.786
LUO-POS-ed2cfb03-2
0.747
EDJ-MED-accc2c4d-3
0.745
EDJ-MED-7587a9ee-3
0.735
EDJ-MED-accc2c4d-1
0.731
ALP-POS-ecbed2ba-13
0.726
ALP-POS-ecbed2ba-20
0.720
ALP-POS-ecbed2ba-22
0.713
EDJ-MED-accc2c4d-4
0.712
EDJ-MED-3707c4bc-2
0.712
MIK-ENA-5d9157e9-1
0.708
EDJ-MED-8bb691af-6
0.708
MIK-ENA-5d9157e9-2
0.708
ALP-POS-ecbed2ba-4
0.708
ALP-POS-ecbed2ba-3
0.695
PET-UNK-94036022-3
0.695
PET-UNK-94036022-10
0.695
EDJ-MED-3707c4bc-1
0.695
ALP-POS-ecbed2ba-8
0.694
ALP-POS-ecbed2ba-9
0.692
EDJ-MED-accc2c4d-2
0.692
EDJ-MED-4138fde9-7
0.691
LUO-POS-ed2cfb03-1
0.686
PET-UNK-94036022-9
0.682
PET-UNK-94036022-2
0.682
ALP-POS-ecbed2ba-15
0.682
ALP-POS-ecbed2ba-5
0.670
ALP-POS-ecbed2ba-6
0.670
EDJ-MED-4138fde9-8
0.667
ALP-POS-ecbed2ba-10
0.667
EDJ-MED-4138fde9-9
0.664
ALP-POS-ecbed2ba-1
0.664
ALP-POS-ecbed2ba-11
0.658
VLA-UNK-61877630-10
0.655
EDJ-MED-5cd3920d-5
0.655
EDJ-MED-5cd3920d-6
0.655
ALP-POS-ecbed2ba-2
0.652
ALP-POS-ecbed2ba-14
0.636
ALP-POS-c3a90b22-7
0.631
EDJ-MED-40e596c8-1
0.624
LUO-POS-e1dab717-19
0.623
EDJ-MED-7587a9ee-2
0.623
EDJ-MED-8bb691af-4
0.611
LUO-POS-868e8996-11
0.611
MAT-POS-c7726e07-5
0.611
MAT-POS-c7726e07-6
0.611
LUO-POS-868e8996-12
0.611
VLA-UNK-3bd6fc51-1
0.602
ALP-POS-133e7cd9-2
0.600
EDJ-MED-40e596c8-2
0.596
ALP-POS-ecbed2ba-7
0.595
MAT-POS-69786b79-1
0.595
MAT-POS-576f7758-1
0.595
LUO-POS-e1dab717-1
0.595
MAT-POS-566864e2-3
0.595
MAT-POS-566864e2-4
0.595
MAT-POS-69786b79-4
0.591
ALP-POS-c3a90b22-6
0.589
MAT-POS-e75f6e44-11
0.586
EDJ-MED-6b23330e-3
0.585
MAT-POS-69786b79-3
0.584
MAT-POS-e75f6e44-7
0.583
MIK-ENA-1494235a-1
0.579
MIK-ENA-4ed700b1-1
0.579
BRU-THA-ae0174a8-1
0.579
EDJ-MED-cc48ee33-4
0.579
MIK-ENA-4a1c9a78-1
0.579
MAT-POS-e75f6e44-1
0.579
MAT-POS-e75f6e44-5
0.579
PET-UNK-aa57768f-2
0.578
PET-UNK-aa57768f-8
0.578
EDJ-MED-6b23330e-1
0.574
EDJ-MED-6b23330e-7
0.574
PET-UNK-7e9559de-1
0.574
PET-UNK-7e9559de-4
0.574
MAT-POS-96396902-1
0.574
EDJ-MED-6b23330e-2
0.574
MAT-POS-e75f6e44-4
0.574
EDJ-MED-6b23330e-5
0.574
MAT-POS-e75f6e44-2
0.574
EDJ-MED-cc48ee33-3
0.570
ALP-POS-c3a90b22-2
0.570
MAT-POS-e75f6e44-17
0.569
EDJ-MED-6b23330e-4
0.569
VLA-UNK-61877630-8
0.568
VLA-UNK-e334495f-2
0.568
ALP-POS-ecbed2ba-12
0.565
MAT-POS-69786b79-2
0.565
EDJ-MED-b6c6ee2b-4
0.565
MAT-POS-566864e2-1
0.565
MAT-POS-566864e2-2
0.565
EDJ-MED-6b23330e-6
0.564
MAT-POS-e75f6e44-6
0.564
MAT-POS-e75f6e44-15
0.564
MAT-POS-e75f6e44-19
0.564
MAT-POS-e75f6e44-12
0.564
MAT-POS-e75f6e44-3
0.560