Molecular Properties | |
SMILES: | CN1C2(CN(S(=O)(=O)CC3(C#N)CC3)Cc3ccc(Cl)cc32)C(=O)N(c2cncc3ccccc23)S1(=O)=O |
MW: | 571.08 |
Fraction sp3: | 0.32 |
HBA: | 7 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 131.75 |
cLogP: | 2.76 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Order Status | |
Ordered: | 2022-02-05 |
Synthesis Location: | enamine |
Shipped: | synthesis in progress |
Hetero_hetero
EDJ-MED-976a33d5-1
MIC-UNK-7b6fe9e8-3
0.771
MAT-POS-c2d406ed-2
0.667
MIC-UNK-7b6fe9e8-2
0.667
MAT-POS-c2d406ed-4
0.661
EDJ-MED-cbbe2dbb-1
0.655
MIC-UNK-7b6fe9e8-1
0.655
LUO-POS-5857a86a-2
0.649
MAT-POS-ddfe83c6-2
0.625
MAT-POS-50a80394-8
0.607
LUO-POS-f7b1afe6-2
0.607
ALP-POS-01611061-1
0.607
MIC-UNK-eb20c3e1-3
0.597
JOH-MSK-949975c8-1
0.592
EDG-MED-b6bce001-2
0.592
EDJ-MED-8bb691af-6
0.590
LUO-POS-5857a86a-3
0.590
ALP-POS-ecbed2ba-4
0.590
MIK-ENA-5d9157e9-1
0.590
MIK-ENA-5d9157e9-2
0.590
EDG-MED-00af8776-1
0.588
EDG-MED-0c930815-1
0.588
EDG-MED-b6bce001-1
0.588
LUO-POS-f7b1afe6-1
0.586
ALP-POS-01611061-2
0.586
MAT-POS-50a80394-1
0.583
MIK-ENA-99706bb8-1
0.583
MIK-ENA-17e27e9c-1
0.583
MIK-ENA-623fe2a6-1
0.583
MIK-ENA-2c0ad173-1
0.583
MIK-ENA-f156d06e-1
0.580
MAT-POS-c2d406ed-1
0.580
MAT-POS-c2d406ed-3
0.579
EDJ-MED-a12e3a20-1
0.576
EDJ-MED-7e491f08-1
0.576
MAT-POS-50a80394-3
0.574
MAT-POS-b3212acf-1
0.574
LUO-POS-b5068a05-2
0.573
MAT-POS-1bed62cf-1
0.571
LUO-POS-868e8996-10
0.571
ALP-POS-01611061-3
0.571
LUO-POS-868e8996-9
0.571
ALP-POS-ecbed2ba-15
0.570
MAT-POS-50a80394-2
0.570
LUO-POS-eaf50f21-1
0.570
MIK-ENA-be04d1d4-1
0.570
MIK-ENA-e143773d-1
0.570
MIK-ENA-edcfce18-1
0.570
MIK-ENA-0547b12c-1
0.570
EDJ-MED-8bb691af-5
0.567
PET-UNK-94036022-6
0.567
PET-UNK-94036022-13
0.567
LUO-POS-e1dab717-16
0.566
LUO-POS-eaf50f21-2
0.565
LUO-POS-eaf50f21-4
0.565
ALP-POS-133e7cd9-2
0.562
ALP-POS-ecbed2ba-2
0.560
EDJ-MED-8bb691af-2
0.559
LUO-POS-e1dab717-15
0.557
ALP-POS-ecbed2ba-8
0.554
MAT-POS-b3212acf-2
0.553
PET-UNK-143b31ee-2
0.553
MIC-UNK-257d841f-1
0.553
PET-UNK-143b31ee-1
0.553
EDJ-MED-4138fde9-7
0.553
PET-UNK-143b31ee-4
0.553
PET-UNK-143b31ee-5
0.553
LUO-POS-eaf50f21-5
0.551
LUO-POS-b5068a05-1
0.551
PET-UNK-143b31ee-3
0.548
PET-UNK-143b31ee-6
0.548
LUO-POS-eaf50f21-3
0.547
MIC-UNK-c85ea37c-3
0.543
MIC-UNK-257d841f-2
0.540
ALP-POS-ecbed2ba-11
0.528
MIC-UNK-c85ea37c-1
0.527
MIC-UNK-c85ea37c-2
0.511
PET-UNK-94036022-9
0.504
PET-UNK-94036022-2
0.504
VLA-UNK-61877630-8
0.496
VLA-UNK-e334495f-2
0.496
ALP-POS-ecbed2ba-1
0.492
MAT-POS-89bd6af1-1
0.492
PET-UNK-94036022-4
0.492
PET-UNK-94036022-11
0.492
ALP-POS-c56c1477-4
0.492
EDJ-MED-b6c6ee2b-4
0.492
EDJ-MED-ee81482e-2
0.489
VLA-UNK-61877630-7
0.488
VLA-UNK-e334495f-1
0.488
JOH-MSK-ccc6e4c0-1
0.488
ALP-POS-ecbed2ba-3
0.488
ALP-POS-ecbed2ba-22
0.484
PET-UNK-6da3dcd8-9
0.484
MAT-POS-83a7b0a0-2
0.480
MAT-POS-89bd6af1-2
0.480
EDJ-MED-b1cef252-2
0.480
PET-UNK-6da3dcd8-8
0.480
MAT-POS-1d5ab790-1
0.480
MAT-POS-853c0ffa-5
0.480
PET-UNK-6da3dcd8-10
0.480