Molecular Properties | |
SMILES: | C=CC(=O)N(Cc1cccc(Cl)c1)C(C(=O)NCCc1cccc(F)c1)c1cnccc1C |
MW: | 465.16 |
Fraction sp3: | 0.19 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 9 |
TPSA: | 62.3 |
cLogP: | 4.8 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Source | |
MolPort: | MolPort-047-548-140 |
Activity Data | |
IC50 (µM) - Fluorescence: | 99.5 |
IC50 (µM) - RapidFire: | 99.0 |
Order Status | |
Ordered: | 2020-07-30 |
Synthesis Location: | enamine |
Shipped: | 2020-08-19 |
Long aliphatic chain
IVS-FNM-f9a14d04-1
DAR-DIA-48c639f7-11
0.523
DAR-DIA-48c639f7-17
0.514
DAR-DIA-48c639f7-15
0.509
DAR-DIA-2b784ede-54
0.509
DAR-DIA-48c639f7-2
0.504
DAR-DIA-48c639f7-9
0.491
DAR-DIA-48c639f7-6
0.487
ALP-POS-02c6a514-44
0.486
PAU-WEI-df8f33bc-2
0.486
DAR-DIA-48c639f7-10
0.486
DAR-DIA-48c639f7-7
0.483
DAR-DIA-48c639f7-18
0.482
DAR-DIA-48c639f7-16
0.482
DAR-DIA-48c639f7-12
0.482
ALF-EVA-719172df-5
0.482
ALF-EVA-46063d6e-1
0.478
DAR-DIA-48c639f7-4
0.475
MIC-UNK-8686cf1d-9
0.473
DAR-DIA-48c639f7-5
0.471
DAR-DIA-48c639f7-1
0.470
ALF-EVA-719172df-2
0.465
DAR-DIA-48c639f7-3
0.463
MIC-UNK-96659df2-3
0.462
DAR-DIA-48c639f7-8
0.462
ALF-EVA-719172df-3
0.461
ALP-POS-d0876c20-1
0.457
DAR-DIA-48c639f7-14
0.455
LON-WEI-babf2c61-9
0.455
ALP-POS-780445ae-3
0.454
ALF-EVA-719172df-1
0.453
DAR-DIA-48c639f7-13
0.447
LON-WEI-babf2c61-10
0.446
PAU-WEI-5b8d5051-1
0.445
LON-WEI-adc59df6-47
0.445
LON-POS-586a7c45-1
0.445
LON-WEI-babf2c61-5
0.442
LON-WEI-babf2c61-11
0.435
LON-WEI-babf2c61-1
0.434
MIC-UNK-96659df2-1
0.433
MIC-UNK-96659df2-4
0.432
LON-WEI-babf2c61-6
0.429
MIC-UNK-96659df2-2
0.429
KHR-WEI-75c61062-2
0.425
KHR-WEI-75c61062-1
0.421
LON-WEI-babf2c61-2
0.420
ALP-POS-1245c3fa-2
0.419
ALP-POS-e980f4ea-7
0.414
MIC-UNK-8686cf1d-2
0.413
ALP-POS-b0bc6a46-2
0.411
ALP-POS-02c6a514-2
0.411
ALP-POS-e980f4ea-41
0.410
MIC-UNK-9ffaa625-1
0.410
LON-WEI-babf2c61-8
0.409
LON-WEI-babf2c61-13
0.409
CHE-UNK-ae827f53-1
0.407
LON-WEI-babf2c61-12
0.405
MIC-UNK-8686cf1d-4
0.405
LON-WEI-babf2c61-4
0.404
ALP-POS-e980f4ea-64
0.404
MIC-UNK-8686cf1d-8
0.402
MIC-UNK-9ffaa625-2
0.400
ALP-POS-e980f4ea-46
0.398
MIC-UNK-8686cf1d-3
0.398
BRU-THA-92256091-11
0.398
ALF-EVA-46063d6e-6
0.397
RYA-UNI-f4a878f6-1
0.396
ALF-EVA-719172df-6
0.395
ALP-POS-02c6a514-28
0.394
ALP-POS-b0bc6a46-17
0.394
ALP-POS-e980f4ea-40
0.393
ALP-POS-1245c3fa-1
0.393
MIC-UNK-8686cf1d-7
0.392
BRU-THA-92256091-27
0.392
LON-WEI-babf2c61-7
0.392
ALF-EVA-719172df-4
0.392
ALP-POS-ced8ea4d-7
0.391
ALF-EVA-46063d6e-4
0.390
MIC-UNK-8686cf1d-1
0.389
ALP-POS-b0bc6a46-7
0.388
ALP-POS-02c6a514-8
0.388
ALP-POS-02c6a514-15
0.388
ALP-POS-b0bc6a46-9
0.388
ALP-POS-e980f4ea-58
0.388
ALP-POS-ced8ea4d-41
0.388
BRU-THA-92256091-7
0.388
ALP-POS-e980f4ea-27
0.388
ALP-POS-02c6a514-16
0.387
ALP-POS-b0bc6a46-10
0.387
ALP-POS-ced8ea4d-58
0.387
MAT-POS-f2460aef-4
0.387
RYA-UNI-c3f66fb2-1
0.386
LON-WEI-babf2c61-14
0.385
JAN-GHE-d851b096-1
0.385
LON-WEI-babf2c61-3
0.383
DAR-DIA-076fb6ea-2
0.382
ALP-POS-ced8ea4d-64
0.381
BRU-THA-92256091-24
0.381
BRU-THA-92256091-41
0.381
ALF-EVA-46063d6e-3
0.380
ALP-POS-02c6a514-38
0.379