Molecular Properties | |
SMILES: | O=C1N(c2cncc3ccccc23)CCC12CN(S(=O)(=O)N1CCC1)Cc1ccc(Cl)cc12 |
MW: | 482.12 |
Fraction sp3: | 0.33 |
HBA: | 4 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 73.82 |
cLogP: | 3.33 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 0.330051357482444 |
Order Status | |
Ordered: | 2021-11-07 |
Synthesis Location: | enamine |
Shipped: | 2022-01-12 |
Hetero_hetero
LUO-POS-ed2cfb03-1
0.856
EDJ-MED-7587a9ee-3
0.798
ALP-POS-ecbed2ba-10
0.789
ALP-POS-ecbed2ba-9
0.781
LUO-POS-ed2cfb03-2
0.772
ALP-POS-ecbed2ba-18
0.750
EDJ-MED-accc2c4d-3
0.750
EDJ-MED-accc2c4d-4
0.750
PET-UNK-94036022-3
0.732
EDJ-MED-3707c4bc-2
0.732
PET-UNK-94036022-10
0.732
ALP-POS-ecbed2ba-3
0.732
EDJ-MED-3707c4bc-1
0.732
ALP-POS-ecbed2ba-19
0.727
ALP-POS-ecbed2ba-17
0.720
PET-UNK-94036022-2
0.717
PET-UNK-94036022-9
0.717
EDJ-MED-4138fde9-8
0.717
EDJ-MED-accc2c4d-1
0.717
ALP-POS-ecbed2ba-22
0.716
ALP-POS-ecbed2ba-8
0.713
EDJ-MED-accc2c4d-2
0.710
ALP-POS-ecbed2ba-4
0.710
MIK-ENA-5d9157e9-1
0.710
MIK-ENA-5d9157e9-2
0.710
EDJ-MED-8bb691af-6
0.710
ALP-POS-ecbed2ba-21
0.706
VLA-UNK-61877630-10
0.703
EDJ-MED-5cd3920d-5
0.703
EDJ-MED-5cd3920d-6
0.703
ALP-POS-ecbed2ba-5
0.703
ALP-POS-ecbed2ba-6
0.703
ALP-POS-ecbed2ba-15
0.699
ALP-POS-ecbed2ba-16
0.699
ALP-POS-ecbed2ba-13
0.696
EDJ-MED-4138fde9-9
0.696
ALP-POS-ecbed2ba-1
0.696
EDJ-MED-7587a9ee-2
0.688
EDJ-MED-4138fde9-7
0.676
ALP-POS-ecbed2ba-11
0.673
LUO-POS-e1dab717-19
0.670
EDJ-MED-40e596c8-1
0.653
ALP-POS-ecbed2ba-2
0.651
VLA-UNK-3bd6fc51-1
0.646
EDJ-MED-8bb691af-4
0.640
MAT-POS-c7726e07-5
0.640
LUO-POS-868e8996-12
0.640
MAT-POS-c7726e07-6
0.640
LUO-POS-868e8996-11
0.640
MAT-POS-576f7758-1
0.637
LUO-POS-e1dab717-1
0.637
MAT-POS-69786b79-1
0.637
MAT-POS-566864e2-4
0.637
MAT-POS-566864e2-3
0.637
ALP-POS-ecbed2ba-7
0.637
ALP-POS-c3a90b22-7
0.629
ALP-POS-c3a90b22-2
0.625
MAT-POS-69786b79-3
0.625
EDJ-MED-40e596c8-2
0.623
MAT-POS-e75f6e44-1
0.619
MAT-POS-e75f6e44-5
0.619
ALP-POS-c3a90b22-6
0.615
PET-UNK-7e9559de-4
0.613
MAT-POS-96396902-1
0.613
PET-UNK-7e9559de-1
0.613
ALP-POS-133e7cd9-2
0.611
EDJ-MED-cc48ee33-3
0.610
MAT-POS-e75f6e44-17
0.607
MIK-ENA-4a1c9a78-1
0.604
MAT-POS-566864e2-2
0.604
EDJ-MED-cc48ee33-4
0.604
ALP-POS-ecbed2ba-12
0.604
ALP-POS-ecbed2ba-14
0.604
MIK-ENA-1494235a-1
0.604
MIK-ENA-4ed700b1-1
0.604
MAT-POS-566864e2-1
0.604
BRU-THA-ae0174a8-1
0.604
MAT-POS-69786b79-2
0.604
MAT-POS-e75f6e44-12
0.602
MAT-POS-e75f6e44-13
0.602
MAT-POS-e75f6e44-15
0.602
MAT-POS-e75f6e44-19
0.602
EDJ-MED-6b23330e-2
0.598
MAT-POS-e75f6e44-3
0.598
EDJ-MED-6b23330e-1
0.598
EDJ-MED-6b23330e-5
0.598
MAT-POS-e75f6e44-4
0.598
EDJ-MED-6b23330e-7
0.598
MAT-POS-e75f6e44-2
0.598
EDJ-MED-6b23330e-4
0.593
ALP-POS-c3a90b22-4
0.593
EDJ-MED-cc48ee33-5
0.593
MAT-POS-e75f6e44-7
0.593
ALP-POS-c3a90b22-10
0.591
MAT-POS-69786b79-4
0.587
MAT-POS-e75f6e44-6
0.587
EDJ-MED-6b23330e-6
0.587
MAT-POS-e75f6e44-21
0.586
EDJ-MED-40e596c8-3
0.582
EDJ-MED-33064c06-16
0.582