Molecular Properties | |
SMILES: | CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N2CCN(S(N)(=O)=O)CC2)cc1 |
MW: | 440.09 |
Fraction sp3: | 0.57 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 7 |
TPSA: | 138.16 |
cLogP: | -0.77 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 99.5 |
Order Status | |
Shipped: | 2021-04-29 |
Hetero_hetero
MAT-POS-b5746674-57
0.404
MAT-POS-b5746674-55
0.371
MAR-TRE-6a44bbf2-68
0.359
MAR-LAB-efb042c5-5
0.359
AAR-POS-d2a4d1df-27
0.359
MAT-POS-b5746674-56
0.333
MAK-UNK-7c9d1431-13
0.333
SAD-SAT-b55127ae-5
0.333
MAR-TRE-6a44bbf2-78
0.333
SAD-SAT-f2e2579e-5
0.329
MAK-UNK-7c9d1431-22
0.329
SAD-SAT-2fd372d1-6
0.328
MAK-UNK-7c9d1431-17
0.324
MAK-UNK-7c9d1431-6
0.324
DRR-IMP-dff87f5e-9
0.324
DRR-IMP-dff87f5e-3
0.323
AAR-POS-d2a4d1df-44
0.323
PEI-IMP-3d837503-1
0.319
KAY-MCD-d0fe5261-1
0.318
DRR-IMP-dff87f5e-1
0.318
DRR-IMP-dff87f5e-7
0.318
MAR-TRE-6a44bbf2-58
0.318
SAD-SAT-2fd372d1-9
0.315
PEI-IMP-3d837503-3
0.311
MAR-LAB-ff9967db-29
0.311
WAR-XCH-b72a1bbc-49
0.304
MAK-UNK-c74072e5-8
0.304
DRR-IMP-dff87f5e-6
0.304
SIM-SYN-3099a863-2
0.304
BAP-BUY-55f8bcae-1
0.301
JAR-KUA-41bd5a3d-4
0.297
MAR-LAB-ff9967db-22
0.295
CLI-UNI-032f7715-4
0.295
PEI-IMP-3d837503-2
0.292
SIM-SYN-3099a863-3
0.289
MAR-TRE-6a44bbf2-21
0.288
SAD-SAT-bc31ec01-9
0.288
MAK-UNK-7c9d1431-9
0.288
WAR-XCH-b6889685-54
0.288
MAK-UNK-6435e6c2-10
0.286
MAK-UNK-4c6b313a-1
0.286
MAK-UNK-6435e6c2-11
0.286
LIZ-THE-57c545eb-1
0.286
SAD-SAT-1f400d17-2
0.284
MAR-TRE-fd17a9b8-74
0.282
PEI-IMP-ca0b2813-2
0.279
MAR-TRE-6a44bbf2-89
0.279
PEI-IMP-3d837503-5
0.279
ALE-MCD-4ac17b19-1
0.272
SAD-SAT-9a6c5cf3-5
0.272
NAU-LAT-f723e322-6
0.272
WAR-XCH-b72a1bbc-48
0.271
LON-WEI-4d77710c-37
0.271
LON-WEI-5e7d1b3e-37
0.271
BEN-DND-03406596-8
0.270
PEI-IMP-3d837503-4
0.269
SAD-SAT-f2e2579e-10
0.268
MAR-TRE-6a44bbf2-26
0.268
MAK-UNK-7c9d1431-8
0.268
GIA-UNK-eaadd1d4-2
0.268
GIA-UNK-595fac82-4
0.268
MAK-UNK-10dfa458-18
0.265
MAR-TRE-6a44bbf2-32
0.264
ABB-MCD-f8003a30-1
0.264
ANT-OPE-7824651a-2
0.264
SIM-SYN-3099a863-1
0.262
MAT-POS-ee51dedd-2
0.261
SAD-SAT-3a925b8b-2
0.261
MAT-POS-b5746674-60
0.260
SAD-SAT-9a6c5cf3-2
0.259
MAT-POS-590ac91e-66
0.258
WAR-XCH-b6889685-20
0.257
JAY-UNK-11f5bdbd-1
0.257
SAD-SAT-9a6c5cf3-9
0.256
MED-COV-4280ac29-5
0.256
DAN-MCD-5c762fbe-1
0.254
WAR-XCH-b72a1bbc-39
0.254
MAK-UNK-7c9d1431-19
0.253
WAR-XCH-b72a1bbc-20
0.250
MAK-UNK-6435e6c2-5
0.250
MAK-UNK-7c9d1431-4
0.247
TAT-ENA-80bfd3e5-25
0.247
MAK-UNK-7c9d1431-10
0.247
WAR-XCH-b72a1bbc-19
0.247
WAR-XCH-b72a1bbc-23
0.246
GIA-UNK-5ec6c2b8-4
0.246
WAR-XCH-b72a1bbc-14
0.246
SCO-CSI-071a6f1c-1
0.244
AHN-SAT-02ef6d10-5
0.243
MAK-UNK-10dfa458-46
0.243
ALE-MCD-a1893bfb-1
0.242
WAR-XCH-b6889685-4
0.241
MAR-TRE-6a44bbf2-38
0.241
MAK-UNK-7c9d1431-1
0.241
WAR-XCH-b6889685-5
0.241
ANT-OPE-7824651a-1
0.241
JAR-IMP-ed466bb3-4
0.239
MAT-POS-b5746674-62
0.238
KEN-MCD-6084b33e-1
0.237
MAR-TRE-6a44bbf2-65
0.237