Molecular Properties | |
SMILES: | CC1(C(=O)Nc2cncc3ccccc23)CN(S(=O)(=O)CC2(C#N)CC2)Cc2ccc(Cl)cc21 |
MW: | 494.12 |
Fraction sp3: | 0.32 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 103.16 |
cLogP: | 4.23 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 0.0960054389209116 |
Order Status | |
Ordered: | 2021-07-11 |
Synthesis Location: | enamine |
Shipped: | 2021-11-10 |
Hetero_hetero
ALP-POS-c56c1477-4
1.000
EDJ-MED-82bd779b-1
0.770
PET-UNK-757f8bc8-5
0.760
PET-UNK-757f8bc8-8
0.755
PET-UNK-757f8bc8-7
0.740
PET-UNK-6da3dcd8-9
0.731
PET-UNK-6da3dcd8-10
0.728
MAT-POS-89bd6af1-2
0.724
EDJ-MED-b1cef252-2
0.724
PET-UNK-6da3dcd8-8
0.724
MAT-POS-83a7b0a0-2
0.724
PET-UNK-757f8bc8-6
0.702
MAT-POS-89bd6af1-3
0.602
ALP-POS-e266d783-2
0.602
MAT-UNK-28cf4d29-1
0.602
MAT-POS-64942dd0-4
0.585
MAT-POS-dc2604c4-1
0.580
MAT-POS-e194df51-1
0.580
MAT-POS-e194df51-2
0.580
PET-UNK-757f8bc8-3
0.577
PET-UNK-757f8bc8-11
0.570
PET-UNK-6da3dcd8-20
0.569
PET-UNK-6da3dcd8-19
0.568
PET-UNK-757f8bc8-9
0.565
PET-UNK-6da3dcd8-18
0.563
PET-UNK-757f8bc8-12
0.558
PET-UNK-6da3dcd8-1
0.556
MIC-UNK-ea4eb352-2
0.556
PET-UNK-fe71d26d-2
0.556
PET-UNK-fe71d26d-4
0.556
PET-UNK-9bf1291a-1
0.556
ALP-POS-5290f14d-1
0.556
PET-UNK-757f8bc8-1
0.552
MAT-POS-4223bc15-12
0.552
PET-UNK-fe71d26d-1
0.550
PET-UNK-fe71d26d-3
0.550
PET-UNK-6da3dcd8-2
0.547
EDJ-MED-670ad2ee-4
0.546
EDJ-MED-841e0cf0-4
0.546
PET-UNK-757f8bc8-4
0.544
EDJ-MED-036ae2e9-12
0.544
MAT-POS-5cd9ea36-5
0.542
PET-UNK-ad758083-1
0.540
MAT-POS-83f73d0a-3
0.538
MAT-POS-5cd9ea36-7
0.537
MAT-POS-bf364d7a-11
0.537
MAT-POS-bf364d7a-12
0.537
PET-UNK-0d6841fa-1
0.535
MAT-POS-c88128cb-6
0.535
PET-UNK-757f8bc8-10
0.534
PET-UNK-5ad1c31a-5
0.531
PET-UNK-5ad1c31a-11
0.531
PET-UNK-757f8bc8-2
0.530
ALP-POS-07e1ed01-2
0.529
MAT-POS-5cd9ea36-6
0.529
MAT-POS-bf364d7a-9
0.529
MAT-POS-bf364d7a-10
0.529
LUO-POS-eaf50f21-3
0.528
MIC-UNK-6e9f8a43-1
0.527
JOH-UNI-e398da21-2
0.527
PET-UNK-6da3dcd8-3
0.527
LUO-POS-f7b1afe6-2
0.521
MAT-POS-50a80394-8
0.521
ALP-POS-01611061-1
0.521
MIK-ENA-f156d06e-1
0.521
MAT-POS-c2d406ed-1
0.521
PET-UNK-143b31ee-2
0.521
PET-UNK-143b31ee-5
0.521
LUO-POS-e1dab717-16
0.521
PET-UNK-bcc8fd08-4
0.518
JOH-SUS-07b743f6-3
0.517
MAT-POS-83f73d0a-4
0.514
ALP-POS-01611061-2
0.513
LUO-POS-f7b1afe6-1
0.513
EDJ-MED-e9a22d5d-2
0.513
EDJ-MED-8bb691af-2
0.513
LUO-POS-868e8996-10
0.513
MAT-POS-1bed62cf-1
0.513
ALP-POS-01611061-3
0.513
LUO-POS-868e8996-9
0.513
MIK-ENA-be04d1d4-1
0.512
MIK-ENA-e143773d-1
0.512
MIK-ENA-edcfce18-1
0.512
MIK-ENA-0547b12c-1
0.512
MAT-POS-50a80394-2
0.512
PET-UNK-6da3dcd8-4
0.509
PET-UNK-88d26eaf-1
0.509
EDJ-MED-cf877e1d-2
0.509
MAT-POS-c88128cb-4
0.509
LUO-POS-e3baa4d7-1
0.509
BRU-THA-4b053743-1
0.509
ALP-POS-c56c1477-1
0.509
MAT-POS-c88128cb-3
0.509
MAT-POS-2e8b2191-6
0.508
MAT-POS-c88128cb-7
0.508
PET-UNK-94036022-13
0.508
PET-UNK-94036022-6
0.508
MAT-POS-dc2604c4-3
0.508
ALP-POS-07e1ed01-1
0.508
MAT-POS-777f5926-3
0.508