Molecular Properties | |
SMILES: | Cc1ccc(S(=O)(=O)NC2CCN(C(=O)CCl)CC2)cc1 |
MW: | 330.837 |
Fraction sp3: | 0.5 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 66.48 |
cLogP: | 1.50312 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
Source | |
MolPort: | MolPort-047-547-544 |
Activity Data | |
IC50 (µM) - Fluorescence: | 33.5410302443085 |
IC50 (µM) - RapidFire: | 18.4784572700529 |
Trypsin IC50 (µM): | 99.0 |
pIC50 (µM) - Fluorescence | 4.47442360176134 |
Average Inhibition @ 20 µM - Fluorescence: | 25.13284 |
Average Inhibition @ 50 µM - Fluorescence: | 59.26949 |
Average Inhibition @ 20 µM - RapidFire: | 54.869692719237 |
Relative Solubility @ 20 µM: | 1.0 |
Relative Solubility @ 100 µM: | 1.01 |
Order Status | |
Ordered: | 2020-04-17 |
Synthesis Location: | enamine |
Shipped: | 2020-05-20 |
Hetero_hetero
DAV-UNK-07f953a2-1
0.562
MAK-UNK-df1a028e-5
0.507
MAR-LAB-efb042c5-5
0.476
AAR-POS-d2a4d1df-27
0.476
MAR-TRE-6a44bbf2-68
0.476
SAD-SAT-9a6c5cf3-2
0.449
NIR-THE-0d6461ce-1
0.435
SAD-SAT-65574d3f-4
0.431
MAR-TRE-6a44bbf2-48
0.431
MAK-UNK-212f693e-13
0.418
NIR-THE-0d6461ce-9
0.414
GIA-UNK-a79af1bc-1
0.412
NIR-THE-0d6461ce-5
0.410
AAR-POS-0daf6b7e-5
0.403
AHN-SAT-de2502ba-8
0.391
AAR-POS-d2a4d1df-25
0.391
MAK-UNK-c97f7c8f-1
0.389
SAD-SAT-d8079f6f-4
0.382
MAK-UNK-3f402c2b-5
0.375
LON-WEI-120e5cf5-13
0.373
MAK-UNK-7c9d1431-8
0.371
MAR-TRE-6a44bbf2-12
0.371
MAR-TRE-6a44bbf2-26
0.371
MAR-TRE-6a44bbf2-9
0.370
SAD-SAT-29425be4-6
0.367
BEN-DND-76ad4ac9-7
0.361
MAK-UNK-af83ef51-6
0.361
MAK-UNK-750cfbcc-2
0.361
NIM-UNI-05f93fcc-11
0.355
SAD-SAT-f2e2579e-5
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MAK-UNK-987948f6-15
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MAK-UNK-c74072e5-8
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MAK-UNK-d4768348-6
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SAD-SAT-581007d4-4
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MAK-UNK-7c9d1431-21
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SAD-SAT-29425be4-3
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STU-CHA-83dacf15-1
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MAR-TRE-6a44bbf2-78
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MAK-UNK-7c9d1431-13
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AAR-POS-0daf6b7e-6
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NIR-THE-0d6461ce-8
0.342
AAR-POS-0daf6b7e-3
0.342
MAR-TRE-6a44bbf2-13
0.342
WAR-XCH-79d12f6e-6
0.342
LON-WEI-120e5cf5-10
0.342
MAR-TRE-6a44bbf2-15
0.342
AAR-POS-d2a4d1df-36
0.342
NIR-THE-0d6461ce-4
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SAD-SAT-9a6c5cf3-7
0.341
MAK-UNK-750cfbcc-1
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MAK-UNK-6c8f5f75-1
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WAR-XCH-b0339bbe-18
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MAK-UNK-7c9d1431-9
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MAR-TRE-6a44bbf2-21
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LON-WEI-120e5cf5-15
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MAR-TRE-6a44bbf2-86
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GIA-UNK-7337c2f3-7
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SAD-SAT-29425be4-20
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MAK-UNK-69bf97dd-9
0.337
NIR-THE-0d6461ce-10
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ASH-SAT-43770c7d-10
0.333
MED-COV-4280ac29-4
0.333
SAD-SAT-29425be4-13
0.333
MAK-UNK-69bf97dd-4
0.333
LON-WEI-120e5cf5-5
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MAK-UNK-6ca90168-11
0.333
MAK-UNK-7c9d1431-6
0.333
MAR-TRE-14ce9fd6-26
0.333
AAR-POS-0daf6b7e-19
0.333
AAR-POS-d2a4d1df-44
0.333
NIR-THE-0d6461ce-11
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MAK-UNK-7c9d1431-19
0.333
SAD-SAT-5b1897b2-4
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LON-WEI-120e5cf5-21
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VIR-GIT-7b3d3065-3
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STU-CHA-7e77017b-1
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LON-WEI-120e5cf5-20
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MAK-UNK-7c9d1431-17
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MAK-UNK-af83ef51-17
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SAD-SAT-9a6c5cf3-5
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WAR-XCH-79d12f6e-5
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AAR-POS-f650c5f2-4
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LON-WEI-120e5cf5-17
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WAR-XCH-b0339bbe-7
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AAR-POS-5507155c-2
0.329
LON-WEI-120e5cf5-1
0.329
ABB-MCD-f8003a30-1
0.329
MAR-TRE-6a44bbf2-32
0.329
KAY-MCD-d0fe5261-1
0.329
MAR-TRE-6a44bbf2-58
0.329
WAR-XCH-e55cba98-7
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STU-CHA-09bcc2f6-1
0.326
SAD-SAT-9a6c5cf3-9
0.326
WAR-XCH-b0339bbe-3
0.325
NIR-THE-0d6461ce-7
0.325
SAD-SAT-f2e2579e-10
0.325
TAM-UNI-d1c3dd9f-6
0.325
VIK-SYN-9a3d118a-8
0.325
MAK-UNK-c97f7c8f-2
0.325
MAK-UNK-212f693e-32
0.324