Molecular Properties | |
SMILES: | CC(C(=O)Nc1cncnc1)c1ccccc1 |
MW: | 227.11 |
Fraction sp3: | 0.15 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 54.88 |
cLogP: | 2.22 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 99.5 |
Order Status | |
Shipped: | 2021-07-07 |
AAR-POS-d2a4d1df-1
BEN-DND-03406596-11
1.000
BEN-DND-93268d01-1
1.000
BEN-DND-03406596-12
1.000
BEN-DND-93268d01-15
0.483
TRY-UNI-714a760b-17
0.483
AHN-SAT-202241f6-1
0.483
BEN-DND-93268d01-16
0.468
TRY-UNI-714a760b-14
0.468
MAR-TRE-85681e92-49
0.424
MAR-TRE-85681e92-52
0.403
RAL-MED-2de63afb-15
0.397
RAL-MED-2de63afb-16
0.397
MAR-TRE-85681e92-56
0.377
BEN-DND-362d364a-12
0.366
DRE-WAB-ae4a693c-1
0.366
PET-SGC-b0f8bd49-1
0.366
PET-SGC-d0156db4-1
0.366
MAR-TRE-85681e92-92
0.364
ADA-UNI-f8e79267-5
0.357
MAR-TRE-8190bb11-11
0.353
ADA-UNI-f8e79267-2
0.351
MAR-TRE-8190bb11-14
0.351
MAR-TRE-4f781e27-51
0.342
MAR-TRE-85681e92-71
0.339
MAR-TRE-8190bb11-48
0.338
MAR-TRE-9d18ae8c-9
0.338
MAR-TRE-85681e92-22
0.333
MAR-TRE-8190bb11-26
0.333
ADA-UNI-f8e79267-1
0.329
ADA-UNI-f8e79267-4
0.329
MAR-TRE-9d18ae8c-99
0.329
JAN-GHE-83b26c96-6
0.324
AUS-ARG-7cfdce8f-11
0.323
MAR-TRE-85681e92-73
0.322
MAR-TRE-66ac689e-72
0.319
MAR-TRE-92684b97-86
0.319
JAN-GHE-5a013bed-9
0.318
HAN-NEW-5f56c3bc-1
0.318
MAR-TRE-85681e92-39
0.317
MAR-TRE-92684b97-32
0.316
MAR-TRE-4f781e27-49
0.313
MAR-TRE-85681e92-88
0.311
MAR-TRE-799db12b-73
0.311
MAR-TRE-85681e92-57
0.310
JAG-UCB-cedd89ab-5
0.309
MAR-TRE-85681e92-75
0.306
MAR-TRE-3e4e6814-93
0.306
MAR-TRE-9d18ae8c-67
0.306
MAR-TRE-85681e92-34
0.304
ABI-SAT-4d06482b-1
0.304
MAK-UNK-2c1752f0-2
0.304
MAR-TRE-799db12b-16
0.303
MAR-TRE-9d18ae8c-25
0.301
MAR-TRE-8190bb11-62
0.300
BEN-DND-93268d01-3
0.300
MAR-TRE-2fd8122f-90
0.299
TAM-UNI-c140e31a-10
0.299
MAR-TRE-85681e92-76
0.299
MAR-TRE-be9ff7d2-6
0.297
MAR-TRE-8190bb11-56
0.297
MAR-TRE-85681e92-91
0.294
ANT-DIA-045cfdc4-3
0.293
KEI-TRE-d5e2018a-81
0.293
WAR-XCH-bdd24732-1
0.292
SID-ELM-2583a2cd-6
0.292
MAR-TRE-9d18ae8c-30
0.291
MAR-TRE-8190bb11-90
0.291
MAR-TRE-8190bb11-93
0.291
MAR-TRE-9d18ae8c-59
0.290
KEI-TRE-d5e2018a-42
0.289
JAN-GHE-83b26c96-7
0.289
LON-WEI-b2874fec-25
0.289
MAR-TRE-f6f5f473-31
0.289
MAR-TRE-85681e92-85
0.288
MAR-TRE-799db12b-74
0.288
MAK-UNK-f481d203-4
0.288
MAK-UNK-f481d203-3
0.288
MAK-UNK-919546f0-2
0.288
MAR-TRE-92684b97-56
0.286
BAR-COM-4e090d3a-11
0.286
MAR-TRE-85681e92-29
0.286
MAR-TRE-8190bb11-6
0.286
MAR-TRE-4f781e27-4
0.286
JAN-GHE-83b26c96-2
0.286
MAR-TRE-9d18ae8c-80
0.286
MAR-TRE-9d18ae8c-62
0.284
LON-WEI-b2874fec-18
0.284
SAM-UNK-2684b532-7
0.284
BEN-DND-93268d01-2
0.284
SAD-SAT-689b7d5a-4
0.284
MAR-TRE-85681e92-70
0.284
SEA-TRI-04ff6e57-1
0.282
DAN-RED-da448e80-1
0.282
DRE-WAB-eb790b7a-1
0.282
MAR-TRE-66ac689e-61
0.282
PED-UNI-5b7f1100-1
0.282
PED-UNI-8d53fd73-1
0.282
MAR-TRE-85681e92-59
0.282
MAR-TRE-87acfbcc-35
0.282
MAR-TRE-4f781e27-32
0.282