Molecular Properties | |
SMILES: | CS(=O)(=O)N(CCc1ccccc1)CC1CCN(C(=O)CCl)CC1 |
MW: | 372.918 |
Fraction sp3: | 0.59 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 7 |
TPSA: | 57.69 |
cLogP: | 1.9681 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
Activity Data | |
IC50 (µM) - RapidFire: | 99.0 |
Order Status | |
Ordered: | 2020-04-17 |
Synthesis Location: | enamine |
Shipped: | 2020-06-24 |
Hetero_hetero
MAK-UNK-ec98eaf6-48
0.525
MAR-TRE-6a44bbf2-9
0.434
MAK-UNK-af83ef51-2
0.413
MAK-UNK-af83ef51-6
0.408
MAK-UNK-15efde89-1
0.405
MAR-TRE-6a44bbf2-28
0.392
MAK-UNK-7c9d1431-23
0.392
MAK-UNK-7c9d1431-24
0.391
DRR-IMP-38dce17f-3
0.391
MAK-UNK-10dfa458-39
0.385
LON-WEI-120e5cf5-5
0.382
MAK-UNK-987948f6-15
0.382
AAR-POS-0daf6b7e-5
0.373
AHN-SAT-de2502ba-1
0.370
MAR-TRE-6a44bbf2-86
0.368
LON-WEI-120e5cf5-15
0.368
MAK-UNK-6ca90168-11
0.365
SIM-SYN-7db9eb24-1
0.364
DRA-CSI-47e38074-2
0.362
BEN-DND-03406596-1
0.358
BEN-DND-76ad4ac9-9
0.358
MAK-UNK-212f693e-32
0.355
MAK-UNK-10dfa458-40
0.354
YOI-UNK-a533afbc-6
0.353
YOI-UNK-12211982-6
0.353
SAD-SAT-9a6c5cf3-10
0.352
MAR-TRE-6a44bbf2-21
0.351
MAK-UNK-7c9d1431-9
0.351
PAU-WEI-c6d65c11-1
0.348
NAU-LAT-f723e322-5
0.341
DAN-MCD-34fd4f29-1
0.340
AAR-POS-d2a4d1df-24
0.338
BEN-DND-76ad4ac9-7
0.338
NIR-THE-0d6461ce-8
0.338
NIR-THE-0d6461ce-4
0.337
DAN-MCD-1c3944e2-1
0.333
MAK-UNK-987948f6-2
0.333
BEN-DND-362d364a-5
0.333
AHN-SAT-de2502ba-7
0.333
SAD-SAT-f2e2579e-8
0.333
DUN-NEW-f8ce3686-22
0.333
MAK-UNK-d4768348-6
0.329
DRA-CSI-47e38074-3
0.329
DRA-CSI-47e38074-12
0.329
SAD-SAT-d8079f6f-4
0.328
DAN-MCD-9950a804-1
0.327
DAN-MCD-1a622181-1
0.327
STU-CHA-83dacf15-1
0.326
SAD-SAT-f2e2579e-6
0.326
PAU-WEI-b9b69149-1
0.326
SEL-UNI-cd366922-2
0.325
AAR-POS-fca48359-5
0.325
MAR-TRE-6a44bbf2-52
0.325
AAR-POS-d2a4d1df-22
0.325
LON-WEI-8f408cad-3
0.325
MAK-UNK-69bf97dd-7
0.323
SAD-SAT-f2e2579e-4
0.323
SAD-SAT-9a6c5cf3-7
0.323
SAD-SAT-f2e2579e-10
0.322
WAR-XCH-79d12f6e-4
0.321
JOK-SYG-18591e8f-1
0.321
DAN-MCD-9b81d1fa-1
0.320
DAN-MCD-b3a5626f-1
0.320
SAD-SAT-29425be4-29
0.319
SAD-SAT-29425be4-16
0.319
SAD-SAT-29425be4-27
0.319
MED-COV-4280ac29-25
0.318
SAD-SAT-f2e2579e-5
0.318
MED-COV-4280ac29-8
0.318
GIA-UNK-20b63697-5
0.318
SEL-UNI-cd366922-5
0.317
DRA-CSI-47e38074-10
0.317
GIA-UNK-20b63697-7
0.316
MAK-UNK-69bf97dd-1
0.316
STU-CHA-7e77017b-1
0.316
SAD-SAT-29425be4-12
0.315
MAK-UNK-69bf97dd-8
0.315
SAD-SAT-f2e2579e-3
0.315
STE-KUL-2e0d2e88-7
0.314
GIA-UNK-20b63697-8
0.314
MAK-UNK-6c8f5f75-1
0.313
GIA-UNK-20b63697-6
0.313
MAR-TRE-6a44bbf2-8
0.312
MAK-UNK-7c9d1431-27
0.312
AAR-POS-d2a4d1df-34
0.312
RED-RED-10c9212c-19
0.312
DRR-IMP-dff87f5e-5
0.312
SAD-SAT-9a6c5cf3-2
0.312
RED-RED-10c9212c-26
0.312
SAD-SAT-9a6c5cf3-5
0.311
NIM-UNI-310206f0-25
0.311
VIR-GIT-7b3d3065-3
0.311
AAR-POS-0daf6b7e-19
0.311
WAR-XCH-bdd24732-22
0.311
MAK-UNK-750cfbcc-3
0.310
MAR-TRE-6a44bbf2-79
0.310
BEN-DND-76ad4ac9-4
0.309
STU-CHA-09bcc2f6-1
0.309
WAR-XCH-b0339bbe-3
0.308
MED-COV-4280ac29-15
0.308