Molecular Properties | |
SMILES: | O=C(Cc1cncc2ccccc12)Nc1ccccc1 |
MW: | 262.312 |
Fraction sp3: | 0.06 |
HBA: | 2 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 41.99 |
cLogP: | 3.416 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine REAL: | s_22____57709____11968302 |
Enamine Extended REAL: | s_22____57709____11968302 |
MolPort: | MolPort-047-338-957 |
Activity Data | |
IC50 (µM) - Fluorescence: | 57.5904170702314 |
IC50 (µM) - RapidFire: | 45.0774692062389 |
Trypsin IC50 (µM): | 99.0 |
Order Status | |
Ordered: | 2020-03-31 |
Synthesis Location: | enamine |
Shipped: | 2020-04-17 |
PET-UNK-8922bd3c-1
0.672
DAR-DIA-23aa0b97-19
0.642
NAU-LAT-2fed8305-8
0.591
ERI-UCB-ce40166b-4
0.573
ERI-UCB-ce40166b-1
0.551
ERI-UCB-ce40166b-3
0.537
ERI-UCB-ce40166b-8
0.532
ERI-UCB-ce40166b-2
0.524
DAR-DIA-6a49afbe-9
0.522
DAR-DIA-6a49afbe-1
0.514
MAT-POS-6344a35d-1
0.512
ERI-UCB-ce40166b-12
0.506
ERI-UCB-ce40166b-5
0.500
ERI-UCB-ce40166b-7
0.494
ERI-UCB-ce40166b-9
0.494
DAR-DIA-6a49afbe-2
0.493
DAR-DIA-6a49afbe-7
0.493
DAR-DIA-6a49afbe-8
0.493
ERI-UCB-ce40166b-6
0.483
ERI-UCB-ce40166b-10
0.477
ERI-UCB-ce40166b-11
0.472
MIC-UNK-a28eba03-2
0.464
DAR-DIA-6a49afbe-12
0.463
MIC-UNK-a28eba03-4
0.451
RAL-THA-2d450e86-1
0.441
DAR-DIA-6a49afbe-11
0.440
BEN-DND-61647d40-15
0.432
BEN-DND-61647d40-16
0.427
MIC-UNK-a28eba03-3
0.427
MIC-UNK-a28eba03-1
0.421
DAR-DIA-03336633-15
0.420
MIC-UNK-d36ab305-3
0.419
MAK-UNK-919546f0-4
0.414
DAR-DIA-6a49afbe-10
0.414
CUN-WAB-25b584ee-2
0.412
MAK-UNK-b7886382-4
0.410
MAK-UNK-b7886382-3
0.405
RAL-THA-2d450e86-38
0.397
RAL-THA-2d450e86-2
0.397
RAL-THA-2d450e86-37
0.397
RAL-THA-2d450e86-36
0.397
ALP-POS-c3a96089-2
0.395
RAL-THA-2d450e86-34
0.395
RAL-THA-2d450e86-30
0.392
MIC-UNK-460e637d-1
0.391
NAU-LAT-a5c7d7cb-8
0.390
ALP-POS-c3a96089-1
0.388
RAL-THA-2d450e86-3
0.384
MAT-POS-23a8a11a-1
0.382
ALP-POS-64a710fa-2
0.381
NAU-LAT-a5c7d7cb-5
0.381
BEN-DND-61647d40-5
0.380
MAK-UNK-c749d764-11
0.380
DAR-DIA-53551c05-6
0.378
RAL-THA-2d450e86-7
0.378
GIA-UNK-3f36037a-7
0.377
MAT-POS-afd4d4fd-3
0.377
RAL-THA-2d450e86-40
0.377
RAL-THA-2d450e86-39
0.377
BEN-DND-61647d40-6
0.375
SAD-SAT-6b5a89f0-8
0.375
RAL-THA-2d450e86-35
0.373
RAL-THA-2d450e86-16
0.373
MAT-POS-fce787c2-2
0.373
MIC-UNK-d36ab305-6
0.372
ALP-POS-25b4df59-2
0.372
ALP-POS-25b4df59-1
0.372
NAU-LAT-2fed8305-5
0.372
RAL-THA-2d450e86-26
0.372
RAL-THA-2d450e86-23
0.372
UNK-UNK-2ede4078-90
0.371
UNK-UNK-2ede4078-104
0.370
ALP-POS-c3a96089-3
0.368
RAL-THA-2d450e86-4
0.368
PET-UNK-1901c25b-1
0.368
JOH-UNI-ea1df7a8-1
0.368
MAT-POS-afd4d4fd-1
0.367
RAL-THA-2d450e86-20
0.367
PET-UNK-dd44aeb6-1
0.367
RAL-THA-2d450e86-24
0.367
PET-UNK-dd44aeb6-2
0.367
RAL-THA-2d450e86-27
0.367
RAL-THA-2d450e86-19
0.367
RAL-THA-2d450e86-25
0.367
MAK-UNK-f481d203-4
0.365
MAK-UNK-f481d203-3
0.365
MAK-UNK-919546f0-2
0.365
JUL-TUD-06b2044f-52
0.364
ALP-POS-6747fa38-1
0.364
DAR-DIA-6a508060-1
0.364
VLA-UCB-05e51b3f-1
0.364
NAU-LAT-a5c7d7cb-1
0.364
MAK-UNK-b7886382-5
0.364
ADA-UCB-6c2cb422-1
0.364
BEN-DND-6de5dfa0-11
0.364
NAU-LAT-2fed8305-6
0.364
NAU-LAT-2fed8305-9
0.364
RAL-THA-2d450e86-32
0.364
NIR-THE-d08c3b48-1
0.364
RAL-THA-2d450e86-10
0.364