Molecular Properties | |
SMILES: | COc1ccc(-c2ccccc2S(=O)(=O)N2CCN(C(=O)CCl)CC2)cc1 |
MW: | 408.09 |
Fraction sp3: | 0.32 |
HBA: | 4 |
HBD: | 0 |
Rotatable Bonds: | 5 |
TPSA: | 66.92 |
cLogP: | 2.43 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 0.551342885489212 |
Order Status | |
Shipped: | 2021-07-28 |
Hetero_hetero
LON-WEI-8f408cad-3
PEI-IMP-ca0b2813-4
0.613
PEI-IMP-668afc53-2
0.557
MAK-UNK-7c9d1431-17
0.543
MAR-TRE-6a44bbf2-45
0.533
MAK-UNK-7c9d1431-30
0.533
NIM-UNI-05f93fcc-15
0.532
SAD-SAT-bc31ec01-10
0.524
MAK-UNK-7c9d1431-12
0.514
MAK-UNK-c74072e5-4
0.512
AAR-POS-d2a4d1df-34
0.500
DRR-IMP-dff87f5e-5
0.500
MAR-TRE-6a44bbf2-8
0.500
MAR-TRE-6a44bbf2-7
0.474
AAR-POS-d2a4d1df-37
0.474
DRR-IMP-db50bf6e-4
0.468
BEN-DND-03406596-9
0.462
PEI-IMP-ca0b2813-3
0.462
BEN-DND-76ad4ac9-11
0.462
AAR-POS-0daf6b7e-18
0.431
MAR-TRE-6a44bbf2-21
0.431
MAK-UNK-7c9d1431-9
0.431
AAR-POS-0daf6b7e-3
0.429
AAR-POS-d2a4d1df-36
0.429
MAR-TRE-6a44bbf2-13
0.429
WAR-XCH-79d12f6e-6
0.429
RHE-UNK-eb059eb9-1
0.429
MAK-UNK-7c9d1431-22
0.423
NIM-UNI-05f93fcc-3
0.422
AAR-POS-d2a4d1df-27
0.419
LON-WEI-8f408cad-3
0.419
MAR-LAB-efb042c5-5
0.419
AAR-POS-d2a4d1df-22
0.419
MAR-TRE-6a44bbf2-52
0.419
MAR-TRE-6a44bbf2-68
0.419
MAK-UNK-7c9d1431-19
0.418
NIM-UNI-05f93fcc-1
0.413
DRR-IMP-dff87f5e-4
0.411
MAK-UNK-7c9d1431-3
0.407
DRR-IMP-dff87f5e-2
0.407
KAT-UNK-b2a0d5b1-1
0.405
MAK-UNK-7c9d1431-8
0.403
MAR-TRE-6a44bbf2-26
0.403
NIM-UNI-05f93fcc-11
0.402
TAT-ENA-80bfd3e5-43
0.400
AAR-POS-0daf6b7e-15
0.400
MAK-UNK-7c9d1431-11
0.400
MAR-TRE-6a44bbf2-65
0.400
SAD-SAT-3a925b8b-2
0.400
NIM-UNI-05f93fcc-2
0.398
BAP-BUY-55f8bcae-1
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BEN-DND-03406596-5
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BEN-DND-76ad4ac9-13
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AAR-POS-d2a4d1df-32
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MAR-TRE-6a44bbf2-4
0.395
MAK-UNK-7c9d1431-13
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LON-WEI-8f408cad-2
0.395
MAR-TRE-6a44bbf2-78
0.395
JAN-GHE-bf40f168-2
0.394
BEN-DND-03406596-10
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MAR-TRE-6a44bbf2-18
0.390
LON-WEI-8f408cad-4
0.390
MAK-UNK-d4768348-7
0.390
AAR-POS-d2a4d1df-23
0.390
SAD-SAT-f2e2579e-6
0.389
NAU-LAT-f723e322-5
0.389
DRR-IMP-dff87f5e-3
0.387
AAR-POS-d2a4d1df-44
0.387
SAD-SAT-9a6c5cf3-10
0.386
MAK-UNK-7c9d1431-7
0.386
MAR-TRE-6a44bbf2-49
0.386
PEI-IMP-ca0b2813-1
0.385
MAK-UNK-7c9d1431-6
0.385
MAR-TRE-6a44bbf2-77
0.385
MAK-UNK-d4768348-9
0.383
KAY-MCD-d0fe5261-1
0.382
PEI-IMP-ca0b2813-2
0.382
MAT-POS-ee51dedd-2
0.382
DRR-IMP-dff87f5e-1
0.382
MAR-TRE-6a44bbf2-58
0.382
DRR-IMP-dff87f5e-7
0.382
MAR-TRE-6a44bbf2-32
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MAK-UNK-7c9d1431-10
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DRR-IMP-dff87f5e-8
0.380
ABB-MCD-f8003a30-1
0.380
BEN-DND-03406596-2
0.378
BEN-DND-76ad4ac9-12
0.378
MAK-UNK-d4768348-5
0.377
JAY-UNK-11f5bdbd-1
0.377
BEN-DND-03406596-6
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NIM-UNI-05f93fcc-14
0.376
BEN-DND-76ad4ac9-10
0.376
GIA-UNK-4de5abb1-5
0.376
BEN-DND-03406596-3
0.373
MAK-UNK-7c9d1431-4
0.373
BEN-DND-76ad4ac9-14
0.373
TAT-ENA-80bfd3e5-25
0.373
IND-SYN-6c8299e8-2
0.373
SAD-SAT-f2e2579e-4
0.370
MED-COV-4280ac29-5
0.370
MAR-TRE-6a44bbf2-31
0.369