Molecular Properties | |
SMILES: | CS(=O)(=O)N1CCN(C(=O)CCl)CC1c1ccccc1 |
MW: | 316.81 |
Fraction sp3: | 0.46 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 57.69 |
cLogP: | 1.0703 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
Source | |
MolPort: | MolPort-047-547-893 |
Activity Data | |
IC50 (µM) - Fluorescence: | 10.562354385868 |
IC50 (µM) - RapidFire: | 3.30858329458321 |
Trypsin IC50 (µM): | 99.0 |
Order Status | |
Ordered: | 2020-04-17 |
Synthesis Location: | enamine |
Shipped: | 2020-05-13 |
Hetero_hetero
JOE-SYG-2c9a1216-1
0.609
SAL-INS-1c7a5a55-11
0.442
MAK-UNK-7c9d1431-9
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MAR-TRE-6a44bbf2-21
0.394
DAN-MCD-68a9aade-1
0.381
DAN-MCD-e5161b06-1
0.381
DAN-MCD-a37c31cb-1
0.381
DAN-MCD-1c3944e2-1
0.379
MAK-UNK-987948f6-2
0.375
DAN-MCD-5390ac8b-1
0.375
MAK-UNK-df1a028e-7
0.373
SAD-SAT-c989feaa-4
0.368
MAK-UNK-7c9d1431-27
0.366
DAN-MCD-9b81d1fa-1
0.364
DAN-MCD-b3a5626f-1
0.364
MAK-UNK-af83ef51-2
0.361
SEL-UNI-cd366922-2
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MAR-TRE-6a44bbf2-28
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MIH-UNI-e573136b-15
0.357
MAK-UNK-7c9d1431-23
0.357
NAU-LAT-f723e322-4
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DAN-MCD-34fd4f29-1
0.356
MAK-UNK-7c9d1431-24
0.354
DRR-IMP-38dce17f-3
0.354
AHN-SAT-de2502ba-7
0.353
DAN-MCD-cb24a79d-1
0.348
LON-WEI-120e5cf5-5
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TAT-ENA-80bfd3e5-45
0.345
MAT-POS-fa06b69f-7
0.345
DAN-MCD-f396e45b-1
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DAN-MCD-9cdc9f7f-1
0.344
SIM-SYN-f15aaa3a-1
0.343
DAN-LON-a5fc619e-5
0.341
SAL-INS-1ea6d4ee-4
0.341
DAN-MCD-1a622181-1
0.341
DAN-MCD-9950a804-1
0.341
PEI-IMP-e4a008a2-1
0.338
DAN-LON-a5fc619e-6
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YOI-UNK-a533afbc-4
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YOI-UNK-12211982-4
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SAL-INS-1ea6d4ee-3
0.337
MAR-TRE-6a44bbf2-86
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LON-WEI-120e5cf5-15
0.333
AAR-POS-0daf6b7e-14
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DUN-NEW-f8ce3686-25
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DRR-IMP-dff87f5e-4
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MAK-UNK-6ca90168-10
0.333
IAN-BAS-d38e7e67-1
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DAN-MCD-0c04f563-1
0.333
NAU-LAT-64f4b287-4
0.333
DAN-MCD-0fb4364c-1
0.330
MAK-UNK-7c9d1431-17
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MAK-UNK-6ca90168-11
0.329
SAD-SAT-1b030f84-9
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DAN-MCD-8aee1169-1
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DAN-MCD-52f1549c-1
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MED-COV-4280ac29-27
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STE-KUL-2e0d2e88-4
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BEN-DND-76ad4ac9-9
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BEN-DND-03406596-1
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WAR-XCH-79d12f6e-7
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DAN-LON-a5fc619e-9
0.321
TAT-ENA-80bfd3e5-5
0.321
NIM-UNI-13494739-8
0.321
AHN-SAT-de2502ba-1
0.321
STE-KUL-2e0d2e88-1
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GIA-UNK-20b63697-1
0.320
AAR-POS-0daf6b7e-5
0.319
MAK-UNK-d4768348-5
0.319
MAR-TRE-6a44bbf2-92
0.319
AHN-SAT-de2502ba-14
0.319
MAK-UNK-6ca90168-4
0.319
SAD-SAT-65574d3f-1
0.319
MAK-UNK-7c9d1431-12
0.319
AAR-POS-0daf6b7e-16
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SAD-SAT-5b1897b2-10
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DAN-MCD-3bfdcef2-1
0.319
THO-SYG-4e0386bb-1
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GIA-UNK-20b63697-5
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AAR-POS-0daf6b7e-21
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MAK-UNK-10dfa458-39
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GIA-UNK-7337c2f3-7
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SEL-UNI-cd366922-5
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MAK-UNK-15efde89-1
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GIA-UNK-20b63697-7
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SAD-SAT-5b1897b2-3
0.314
AAR-POS-0daf6b7e-18
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DAN-MCD-3ec20f87-1
0.314
NIM-UNI-05f93fcc-2
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DAN-MCD-50d01569-1
0.312
GIA-UNK-20b63697-6
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GIA-UNK-4de5abb1-1
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DAN-MCD-881986d8-1
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SAL-INS-1c7a5a55-5
0.311
DAN-MCD-c163c0bb-1
0.311
AAR-POS-d2a4d1df-28
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MAR-TRE-6a44bbf2-8
0.311
AAR-POS-d2a4d1df-34
0.311
DRR-IMP-dff87f5e-5
0.311
PEI-IMP-ca0b2813-1
0.311