Molecular Properties | |
SMILES: | Cc1nc(N2CCN(S(=O)(=O)c3ccccc3)CC2)sc1S(N)(=O)=O |
MW: | 402.05 |
Fraction sp3: | 0.36 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 113.67 |
cLogP: | 0.61 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 99.5 |
Order Status | |
Shipped: | 2021-04-29 |
Hetero_hetero
PEI-IMP-3d837503-3
0.429
PEI-IMP-3d837503-1
0.400
PEI-IMP-3d837503-5
0.386
PEI-IMP-3d837503-2
0.382
MAR-TRE-6a44bbf2-21
0.377
MAK-UNK-7c9d1431-9
0.377
PEI-IMP-3d837503-4
0.377
GIA-UNK-5ec6c2b8-4
0.358
GIA-UNK-eaadd1d4-2
0.351
GIA-UNK-595fac82-4
0.351
MAT-POS-b5746674-57
0.343
BEN-DND-7e92b6ca-7
0.333
SIM-SYN-a98e6a07-1
0.305
MAT-POS-590ac91e-58
0.304
GIA-UNK-eaadd1d4-3
0.304
MAT-POS-b5746674-55
0.301
MAT-POS-590ac91e-56
0.301
MAT-POS-590ac91e-57
0.301
SCO-CSI-071a6f1c-1
0.298
JAR-KUA-41bd5a3d-19
0.297
ANT-OPE-7824651a-2
0.295
MAR-LAB-efb042c5-5
0.293
MAR-TRE-6a44bbf2-68
0.293
AAR-POS-d2a4d1df-27
0.293
SAD-SAT-2fd372d1-9
0.293
MAR-TRE-f5c2d31c-79
0.289
MAT-POS-b5746674-29
0.280
JAR-KUA-8c13982c-2
0.278
MAR-LAB-ff9967db-29
0.274
MAT-POS-b5746674-56
0.273
CLI-UNI-032f7715-4
0.271
SIM-SYN-3099a863-2
0.270
MAK-UNK-6435e6c2-5
0.267
HIR-FOR-a67ea703-1
0.267
MAR-TRE-04c86cea-46
0.267
MAK-UNK-7c9d1431-17
0.266
MAR-TRE-fd17a9b8-74
0.264
MAK-UNK-4c6b313a-1
0.264
MAK-UNK-6435e6c2-11
0.264
MAK-UNK-6435e6c2-10
0.264
SAD-SAT-2fd372d1-6
0.261
DRR-IMP-dff87f5e-1
0.260
MAR-TRE-6a44bbf2-58
0.260
KAY-MCD-d0fe5261-1
0.260
SIM-SYN-3099a863-3
0.258
MAT-POS-590ac91e-66
0.258
MAR-TRE-6a44bbf2-78
0.256
SAD-SAT-b55127ae-5
0.256
MAK-UNK-7c9d1431-13
0.256
ALE-MCD-4ac17b19-1
0.256
DAN-MCD-5c762fbe-1
0.253
ROD-UFR-9b69e111-1
0.253
JAR-IMP-ed466bb3-4
0.253
MAK-UNK-7c9d1431-6
0.250
SAD-SAT-bc31ec01-9
0.250
MAR-LAB-ff9967db-9
0.250
WAR-XCH-b6889685-10
0.250
SCO-CSI-e56d7cb6-1
0.250
DRA-CSI-3ab97369-1
0.250
BAP-BUY-55f8bcae-1
0.250
DRA-CSI-3ab97369-7
0.248
WAR-XCH-b6889685-50
0.247
MAK-UNK-009ebe36-3
0.247
SAD-SAT-f2e2579e-5
0.247
MAR-TRE-c8530538-91
0.247
DRR-IMP-dff87f5e-2
0.247
MAK-UNK-7c9d1431-3
0.247
WAR-XCH-b6889685-29
0.247
AAR-POS-d2a4d1df-44
0.247
DRR-IMP-dff87f5e-3
0.247
MAR-TRE-a9136c7b-64
0.244
PEI-IMP-e4a008a2-1
0.244
DRR-IMP-dff87f5e-7
0.244
PEI-IMP-ca0b2813-2
0.244
MED-COV-4280ac29-5
0.242
NAU-LAT-f723e322-6
0.242
ANT-OPE-7824651a-1
0.241
MAK-UNK-7c9d1431-22
0.241
SCO-CSI-e30c12ee-1
0.241
MAR-LAB-ff9967db-22
0.240
ROD-LAS-d5538ff9-8
0.239
WAR-XCH-b6889685-11
0.239
WAR-XCH-b6889685-63
0.239
WAR-XCH-b72a1bbc-8
0.239
BEN-DND-03406596-8
0.238
MAR-TRE-f5c2d31c-51
0.237
WAR-XCH-b6889685-30
0.235
WAR-XCH-b6889685-62
0.235
MAR-TRE-fd17a9b8-56
0.235
DRR-IMP-dff87f5e-6
0.235
DRR-IMP-dff87f5e-9
0.235
MAR-TRE-6a44bbf2-26
0.235
MAK-UNK-c74072e5-8
0.235
PEI-IMP-ca0b2813-1
0.235
MAK-UNK-7c9d1431-8
0.235
SIM-SYN-3099a863-1
0.234
WAR-XCH-b6889685-40
0.234
BEN-DND-03ad4429-4
0.233
PEI-IMP-ca0b2813-3
0.233
MAT-POS-b5746674-21
0.232