Molecular Properties | |
SMILES: | COC1(CS(=O)(=O)N2Cc3ccc(Cl)cc3C3(CCN(c4cncc5cc(S(C)(=O)=O)ccc45)C3=O)C2)CC1 |
MW: | 589.11 |
Fraction sp3: | 0.41 |
HBA: | 7 |
HBD: | 0 |
Rotatable Bonds: | 6 |
TPSA: | 113.95 |
cLogP: | 3.29 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 0.413064287661438 |
Order Status | |
Ordered: | 2021-11-12 |
Synthesis Location: | enamine |
Shipped: | 2021-12-13 |
Hetero_hetero
MAT-POS-853c0ffa-22
0.827
MAT-POS-853c0ffa-15
0.796
ALP-POS-ecbed2ba-6
0.757
MAT-POS-853c0ffa-14
0.699
MAT-POS-853c0ffa-12
0.675
EDJ-MED-9f4ac58c-8
0.658
MAT-POS-853c0ffa-7
0.658
MAT-POS-853c0ffa-8
0.658
MAT-POS-853c0ffa-10
0.650
LUO-POS-e1dab717-9
0.647
ALP-POS-ecbed2ba-3
0.628
PET-UNK-94036022-3
0.600
PET-UNK-94036022-10
0.600
PET-UNK-94036022-9
0.590
PET-UNK-94036022-2
0.590
ALP-POS-ecbed2ba-1
0.588
EDJ-MED-4138fde9-7
0.587
MIK-ENA-5d9157e9-1
0.585
EDJ-MED-8bb691af-6
0.585
MIK-ENA-5d9157e9-2
0.585
ALP-POS-ecbed2ba-4
0.585
VLA-UNK-61877630-10
0.580
EDJ-MED-5cd3920d-5
0.580
EDJ-MED-5cd3920d-6
0.580
MAT-POS-853c0ffa-21
0.575
ALP-POS-ecbed2ba-8
0.575
EDJ-MED-accc2c4d-3
0.573
EDJ-MED-3707c4bc-1
0.573
EDJ-MED-3707c4bc-2
0.573
EDJ-MED-7587a9ee-3
0.571
PET-UNK-c6bcc80b-4
0.567
PET-UNK-c6bcc80b-11
0.567
ALP-POS-ecbed2ba-15
0.566
ALP-POS-ecbed2ba-22
0.566
EDJ-MED-4138fde9-8
0.563
EDJ-MED-b6c6ee2b-4
0.563
MIK-ENA-bb7b6957-1
0.560
EDJ-MED-b6c6ee2b-3
0.560
MIK-ENA-60569a44-1
0.560
MAT-POS-853c0ffa-19
0.558
MAT-POS-853c0ffa-20
0.556
EDJ-MED-accc2c4d-1
0.550
ALP-POS-ecbed2ba-13
0.549
ALP-POS-ecbed2ba-11
0.548
MAT-POS-853c0ffa-18
0.545
EDJ-MED-9f4ac58c-5
0.545
MAT-POS-853c0ffa-17
0.545
ALP-POS-ecbed2ba-2
0.543
ALP-POS-ecbed2ba-5
0.541
MAT-POS-853c0ffa-13
0.540
EDJ-MED-9f4ac58c-4
0.540
EDJ-MED-4138fde9-9
0.537
EDJ-MED-5cd3920d-2
0.535
LUO-POS-8484f2d3-1
0.534
MAT-POS-853c0ffa-9
0.534
MAT-POS-38eb6498-1
0.534
MIK-ENA-8063e9dc-1
0.534
LUO-POS-8484f2d3-2
0.534
MIK-ENA-7066949b-1
0.534
MAT-POS-853c0ffa-11
0.531
MAT-POS-1a788f51-2
0.530
LUO-POS-ed2cfb03-2
0.530
LUO-POS-ed2cfb03-1
0.525
ALP-POS-ecbed2ba-10
0.525
EDJ-MED-5cd3920d-1
0.523
ALP-POS-ecbed2ba-20
0.521
ALP-POS-ecbed2ba-18
0.521
ALP-POS-ecbed2ba-21
0.520
PET-UNK-df7eb4e6-3
0.520
PET-UNK-df7eb4e6-7
0.520
EDJ-MED-976a33d5-2
0.520
EDJ-MED-33064c06-7
0.520
LUO-POS-e1dab717-10
0.520
MAT-POS-38eb6498-2
0.519
EDJ-MED-ee81482e-2
0.519
MAT-POS-40ad851a-4
0.519
EDJ-MED-94fddcec-5
0.517
MAT-POS-853c0ffa-6
0.516
EDJ-MED-9f4ac58c-7
0.515
EDJ-MED-ee81482e-1
0.515
MAT-POS-1a788f51-1
0.515
EDJ-MED-4138fde9-1
0.515
MAT-POS-40ad851a-3
0.515
MAT-POS-1d5ab790-1
0.512
MAT-POS-853c0ffa-5
0.512
MAT-POS-40ad851a-2
0.511
ALP-POS-ecbed2ba-19
0.508
LUO-POS-d1147590-1
0.507
MAT-POS-1a788f51-4
0.507
ALP-POS-ecbed2ba-17
0.504
EDJ-MED-ee81482e-4
0.504
MAT-POS-b4d6b7fc-7
0.500
MAT-POS-1a788f51-3
0.500
EDJ-MED-468565e0-1
0.496
EDJ-MED-468565e0-5
0.496
ALP-POS-133e7cd9-2
0.496
EDJ-MED-accc2c4d-4
0.496
MAT-POS-40ad851a-1
0.493
EDJ-MED-ee81482e-3
0.493
ALP-POS-ecbed2ba-16
0.492