Molecular Properties | |
SMILES: | COc1ccc(S(=O)(=O)N2CCN(C(=O)CCl)CC2)cc1 |
MW: | 332.06 |
Fraction sp3: | 0.46 |
HBA: | 4 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 66.92 |
cLogP: | 0.77 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
Source | |
Enamine BB: | EN300-23038 |
Enamine SCR: | Z217102776 |
Enamine REAL: | Z217102776 |
Mcule: | MCULE-4963561629 |
MolPort: | MolPort-002-470-628 |
Activity Data | |
IC50 (µM) - Fluorescence: | 27.5289190388588 |
Order Status | |
Shipped: | 2021-06-02 |
Hetero_hetero
MAK-UNK-7c9d1431-22
0.732
MAR-LAB-efb042c5-5
0.685
AAR-POS-d2a4d1df-27
0.685
MAR-TRE-6a44bbf2-68
0.685
MAK-UNK-7c9d1431-13
0.673
MAR-TRE-6a44bbf2-78
0.673
DRR-IMP-dff87f5e-3
0.667
AAR-POS-d2a4d1df-44
0.667
MAR-TRE-6a44bbf2-58
0.655
DRR-IMP-dff87f5e-7
0.655
DRR-IMP-dff87f5e-1
0.655
KAY-MCD-d0fe5261-1
0.655
PEI-IMP-ca0b2813-3
0.639
DRR-IMP-dff87f5e-6
0.621
DRR-IMP-dff87f5e-9
0.621
MAK-UNK-7c9d1431-6
0.621
MAK-UNK-c74072e5-8
0.621
MAK-UNK-7c9d1431-9
0.618
MAR-TRE-6a44bbf2-21
0.618
MAK-UNK-7c9d1431-19
0.607
BAP-BUY-55f8bcae-1
0.597
PEI-IMP-ca0b2813-2
0.596
MAT-POS-b5746674-56
0.586
JAY-UNK-11f5bdbd-1
0.586
MAK-UNK-7c9d1431-30
0.578
MAR-TRE-6a44bbf2-45
0.578
SAD-SAT-3a925b8b-2
0.569
MAR-TRE-6a44bbf2-26
0.567
MAK-UNK-7c9d1431-8
0.567
MAR-TRE-6a44bbf2-32
0.557
ABB-MCD-f8003a30-1
0.557
BEN-DND-03406596-8
0.556
NIM-UNI-05f93fcc-15
0.551
PEI-IMP-668afc53-1
0.543
MAT-POS-ee51dedd-2
0.542
PEI-IMP-ca0b2813-1
0.541
MAK-UNK-7c9d1431-3
0.538
DRR-IMP-dff87f5e-2
0.538
PEI-IMP-668afc53-2
0.535
MAK-UNK-7c9d1431-10
0.532
SAD-SAT-bc31ec01-5
0.525
LON-WEI-8f408cad-4
0.525
BEN-DND-03406596-10
0.525
MAK-UNK-d4768348-7
0.525
AAR-POS-d2a4d1df-23
0.525
MAR-TRE-6a44bbf2-18
0.525
AAR-POS-0daf6b7e-18
0.508
MAK-UNK-d4768348-5
0.508
DRR-IMP-dff87f5e-8
0.508
MAK-UNK-7c9d1431-11
0.508
MAR-TRE-6a44bbf2-65
0.508
TAT-ENA-80bfd3e5-43
0.508
MAK-UNK-d4768348-9
0.508
MAK-UNK-7c9d1431-1
0.500
MAR-TRE-6a44bbf2-38
0.500
MED-COV-4280ac29-5
0.493
MAK-UNK-7c9d1431-4
0.493
TAT-ENA-80bfd3e5-25
0.493
MAK-UNK-d4768348-1
0.492
MAK-UNK-d4768348-4
0.492
SAD-SAT-3a925b8b-9
0.492
AAR-POS-d2a4d1df-22
0.492
LON-WEI-8f408cad-3
0.492
MAR-TRE-6a44bbf2-52
0.492
MAK-UNK-7c9d1431-2
0.486
MAR-TRE-6a44bbf2-36
0.486
MAR-TRE-6a44bbf2-31
0.485
MAK-UNK-7c9d1431-5
0.485
MAK-UNK-7c9d1431-7
0.485
MAR-TRE-6a44bbf2-49
0.485
SAD-SAT-bc31ec01-4
0.484
SAD-SAT-3a925b8b-3
0.484
MAK-UNK-d4768348-8
0.484
DRR-IMP-dff87f5e-4
0.483
SAD-SAT-f2e2579e-5
0.479
IND-SYN-6c8299e8-2
0.471
MAR-TRE-6a44bbf2-77
0.469
AAR-POS-0daf6b7e-15
0.468
SAD-SAT-9a6c5cf3-5
0.466
SAD-SAT-9a6c5cf3-2
0.461
AAR-POS-d2a4d1df-32
0.460
NIM-UNI-05f93fcc-1
0.460
MAK-UNK-d4768348-2
0.460
MAK-UNK-7c9d1431-12
0.460
LON-WEI-8f408cad-2
0.460
MAR-TRE-6a44bbf2-4
0.460
DAV-UNK-07f953a2-3
0.460
SAD-SAT-f2e2579e-10
0.459
MAR-TRE-6a44bbf2-13
0.455
RHE-UNK-eb059eb9-1
0.455
AAR-POS-d2a4d1df-36
0.455
WAR-XCH-79d12f6e-6
0.455
AAR-POS-0daf6b7e-3
0.455
BEN-DND-76ad4ac9-14
0.449
BEN-DND-03406596-3
0.449
AAR-POS-d2a4d1df-34
0.446
DRR-IMP-dff87f5e-5
0.446
MAR-TRE-6a44bbf2-8
0.446
DRR-IMP-db50bf6e-5
0.444
SAD-SAT-3a925b8b-6
0.438