Molecular Properties | |
SMILES: | Cc1ccc(N(Cc2cscn2)C(=O)Cc2cncc3ccccc23)nc1 |
MW: | 374.12 |
Fraction sp3: | 0.14 |
HBA: | 5 |
HBD: | 0 |
Rotatable Bonds: | 5 |
TPSA: | 58.98 |
cLogP: | 4.17 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 99.5 |
Order Status | |
Ordered: | 2020-11-04 |
Synthesis Location: | enamine |
Shipped: | 2020-12-21 |
ALP-POS-c3a96089-1
0.728
PET-UNK-55f647aa-1
0.553
ALP-POS-25b4df59-2
0.522
PET-UNK-55f647aa-2
0.510
ALP-POS-25b4df59-1
0.505
MAT-POS-6c284e65-1
0.495
ALP-POS-c3a96089-3
0.476
ALP-POS-7c6e02c7-3
0.476
PET-UNK-1901c25b-1
0.469
ALP-POS-7c6e02c7-2
0.462
NAU-LAT-a5c7d7cb-4
0.455
MAK-UNK-b7886382-3
0.446
MAK-UNK-b7886382-4
0.435
ALP-POS-b3306dea-1
0.431
ALP-POS-75715966-2
0.412
ALP-POS-64a710fa-2
0.408
ALP-POS-7c6e02c7-1
0.404
MIC-UNK-a28eba03-3
0.402
MAK-UNK-b7886382-2
0.400
ALP-POS-c3a96089-4
0.398
MAT-POS-6c284e65-2
0.398
MAT-POS-173a45da-1
0.398
DAR-DIA-23aa0b97-20
0.395
MIC-UNK-a28eba03-4
0.389
DAR-DIA-6a49afbe-2
0.381
MAK-UNK-b7886382-1
0.380
DAR-DIA-6a49afbe-12
0.376
UNK-UNK-2ede4078-90
0.371
MIC-UNK-a28eba03-1
0.368
ALP-POS-64a710fa-1
0.368
MIC-UNK-a28eba03-2
0.367
DAR-DIA-6a49afbe-9
0.366
MAK-UNK-b7886382-5
0.365
DAR-DIA-6a49afbe-8
0.365
DAR-DIA-6a49afbe-7
0.365
DAR-DIA-6a49afbe-1
0.362
MIC-UNK-d36ab305-6
0.359
JUL-TUD-06b2044f-53
0.357
DAR-DIA-6a49afbe-4
0.355
DAR-DIA-6a49afbe-3
0.351
NAU-LAT-2fed8305-8
0.351
DAR-DIA-6a49afbe-5
0.348
MIC-UNK-d36ab305-3
0.346
NAU-LAT-a5c7d7cb-5
0.340
DAR-DIA-6a49afbe-6
0.339
JOH-UNI-ea1df7a8-1
0.330
PET-UNK-8922bd3c-1
0.330
MIC-UNK-460e637d-1
0.324
NAU-LAT-a5c7d7cb-8
0.320
DAR-DIA-23aa0b97-19
0.320
MAT-POS-6344a35d-1
0.319
JUL-TUD-06b2044f-52
0.315
DAR-DIA-6a508060-1
0.315
MIC-UNK-460e637d-3
0.312
ERI-UCB-ce40166b-8
0.312
ERI-UCB-ce40166b-4
0.308
JOH-UNI-6e27fddc-8
0.305
MIC-UNK-460e637d-2
0.304
ERI-UCB-ce40166b-12
0.301
ERI-UCB-ce40166b-7
0.296
RAL-THA-2d450e86-3
0.295
DAR-DIA-6a49afbe-10
0.295
ERI-UCB-ce40166b-3
0.295
JOH-UNI-6e27fddc-9
0.294
JOH-UNI-a38a7bdd-2
0.292
ERI-UCB-ce40166b-1
0.288
DAR-DIA-6a49afbe-11
0.288
ERI-UCB-ce40166b-5
0.287
NIR-WEI-75ed5c39-1
0.286
ALP-UNI-44c99a80-4
0.286
ERI-UCB-ce40166b-11
0.286
JUL-TUD-06b2044f-69
0.284
ERI-UCB-ce40166b-9
0.284
ALF-EVA-a24cc7ce-7
0.280
ERI-UCB-ce40166b-6
0.280
UNK-UNK-2ede4078-104
0.279
PET-UNK-e8c7a26f-1
0.279
DAR-DIA-53551c05-6
0.278
ERI-UCB-ce40166b-2
0.278
ERI-UCB-ce40166b-10
0.277
ALP-UNI-44c99a80-1
0.277
ALP-POS-c0c213c9-4
0.277
MIC-UNK-5b1ead09-1
0.276
BAR-COM-0f94fc3d-47
0.275
ALP-POS-87c86d55-1
0.273
DAR-DIA-53551c05-10
0.272
RAL-THA-2d450e86-8
0.272
MAT-POS-bb423b95-7
0.272
RAL-THA-2d450e86-15
0.272
BEN-DND-d1eb1f41-6
0.271
RAL-THA-2d450e86-33
0.270
MAK-UNK-919546f0-5
0.268
ALP-POS-df536be7-6
0.268
MIC-UNK-5b1ead09-5
0.268
RAL-THA-2d450e86-13
0.267
VLA-UCB-05e51b3f-15
0.267
PET-UNK-6c2be958-1
0.267
VLA-UCB-05e51b3f-17
0.267
PET-UNK-12d8d43f-1
0.267
DAR-DIA-076fb6ea-15
0.266