Molecular Properties | |
SMILES: | O=C(NCCNc1ccccc1)c1cc(=O)[nH]c2ccccc12 |
MW: | 307.13 |
Fraction sp3: | 0.11 |
HBA: | 3 |
HBD: | 3 |
Rotatable Bonds: | 5 |
TPSA: | 73.99 |
cLogP: | 2.37 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine Extended REAL: | s_22____5128420____59160 |
MolPort: | MolPort-047-552-711 |
Activity Data | |
IC50 (µM) - Fluorescence: | 99.5 |
Trypsin IC50 (µM): | 99.0 |
Order Status | |
Ordered: | 2020-05-17 |
Synthesis Location: | enamine |
Shipped: | 2020-06-10 |
Aliphatic long chain
AAR-POS-d2a4d1df-1
BEN-DND-7e92b6ca-5
0.620
MAR-UCB-f313ec4d-4
0.618
BEN-DND-7e92b6ca-3
0.587
DAR-DIA-8e329c92-9
0.558
DAR-DIA-8e329c92-11
0.530
MAT-POS-916a2c5a-2
0.525
NAU-LAT-a5c7d7cb-7
0.519
DAR-DIA-8e329c92-10
0.512
ADA-UCB-b1b30a00-1
0.506
DAR-DIA-8e329c92-12
0.494
ALP-POS-05819dc4-1
0.488
ALP-POS-3fc1724e-1
0.488
ALP-UNI-ed5cdfd2-7
0.487
MAT-POS-54c4bf04-1
0.476
ERI-UCB-ce40166b-14
0.467
DAR-DIA-8e329c92-13
0.464
MAT-UCB-70f7c0f7-1
0.462
ERI-UCB-ce40166b-13
0.457
ERI-UCB-ce40166b-15
0.457
MAT-UCB-70f7c0f7-2
0.453
ERI-UCB-ce40166b-16
0.452
NAU-LAT-56d5284e-6
0.448
ERI-UCB-ce40166b-18
0.448
ERI-UCB-ce40166b-17
0.447
ALP-POS-3fc1724e-2
0.447
ERI-UCB-ce40166b-19
0.438
ERI-UCB-ce40166b-20
0.433
DAR-DIA-8e329c92-6
0.432
KRI-MAR-d2e3ef86-12
0.419
KRI-MAR-d2e3ef86-15
0.414
NAU-LAT-56d5284e-7
0.414
ALP-UNI-ed5cdfd2-6
0.404
ALP-UNI-ed5cdfd2-4
0.402
NAU-LAT-56d5284e-4
0.400
BEN-DND-7e92b6ca-6
0.400
ALP-UNI-ed5cdfd2-5
0.398
ALP-UNI-ed5cdfd2-8
0.398
DAR-DIA-8e329c92-4
0.396
MAT-UCB-70f7c0f7-4
0.393
BEN-DND-7e92b6ca-10
0.388
KRI-MAR-d2e3ef86-5
0.388
MAT-POS-916a2c5a-4
0.386
EDJ-MED-78f964c8-1
0.386
BEN-DND-7e92b6ca-7
0.379
DAR-DIA-8e329c92-5
0.379
ALP-POS-3fc1724e-3
0.378
NAU-LAT-56d5284e-8
0.374
JAN-GHE-82a280f8-2
0.372
ADA-UCB-b1b30a00-2
0.372
MAT-UCB-70f7c0f7-3
0.372
BEN-DND-7e92b6ca-16
0.372
ALP-POS-bea7b391-1
0.368
NAU-LAT-56d5284e-3
0.366
DAR-DIA-8e329c92-7
0.364
BEN-DND-7e92b6ca-14
0.360
LON-WEI-1908424e-9
0.360
MAK-UNK-df1a028e-3
0.360
ERI-UCB-a0b0dbcb-4
0.359
ERI-UCB-a0b0dbcb-12
0.359
JAN-GHE-82a280f8-3
0.358
BEN-DND-7e92b6ca-2
0.356
NAU-LAT-56d5284e-1
0.356
BEN-DND-7e92b6ca-15
0.356
MAT-POS-590ac91e-32
0.355
DAR-DIA-53551c05-22
0.353
NAU-LAT-56d5284e-5
0.352
DAR-DIA-8e329c92-8
0.346
ERI-UCB-a0b0dbcb-2
0.344
ERI-UCB-d6de1f3c-1
0.344
MAT-POS-916a2c5a-3
0.344
KRI-MAR-d2e3ef86-4
0.344
ERI-UCB-a0b0dbcb-13
0.344
MAR-TRE-92684b97-53
0.341
KRI-MAR-d2e3ef86-6
0.340
ROB-UNI-daaf9793-1
0.337
MAT-POS-e1b5ac6b-1
0.337
BEN-DND-7e92b6ca-9
0.337
NAU-LAT-56d5284e-2
0.337
MAT-POS-590ac91e-42
0.337
ALP-POS-ddb41b15-5
0.336
VLA-UCB-eb340134-4
0.333
MAT-POS-54c4bf04-4
0.333
ERI-UCB-a0b0dbcb-5
0.333
BEN-DND-b89db3f2-5
0.330
EDJ-MED-edeb0d3a-1
0.330
VLA-UCB-eb340134-3
0.330
VLA-UCB-eb340134-2
0.330
DAR-DIA-53551c05-20
0.330
MAT-POS-590ac91e-30
0.327
JAN-GHE-82a280f8-1
0.326
ERI-UCB-a0b0dbcb-14
0.326
ERI-UCB-a0b0dbcb-9
0.326
BEN-DND-7e92b6ca-13
0.326
KRI-MAR-d2e3ef86-13
0.326
BEN-DND-7e92b6ca-11
0.326
ALP-POS-ddb41b15-3
0.324
ALP-POS-fc6c627f-3
0.324
ERI-UCB-a0b0dbcb-8
0.323
VLA-UCB-eb340134-1
0.323
KRI-MAR-d2e3ef86-7
0.323