Molecular Properties | |
SMILES: | C=CC(=O)N(c1cc(C(C)(C)C)n[nH]1)C(C(=O)Nc1ccc(Cl)cc1)c1cccnc1 |
MW: | 437.931 |
Fraction sp3: | 0.22 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 90.98 |
cLogP: | 4.6546 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Source | |
Enamine SCR: | Z4439011532 |
Order Status | |
Shipped: | 2020-04-09 |
AAR-POS-d2a4d1df-1
DAR-DIA-2b784ede-51
0.649
DAR-DIA-2b784ede-52
0.646
LON-WEI-b8d98729-20
0.639
DAR-DIA-2b784ede-48
0.633
DAR-DIA-2b784ede-50
0.633
DAR-DIA-2b784ede-49
0.620
LON-WEI-b8d98729-33
0.577
LON-WEI-b8d98729-24
0.568
LON-WEI-b8d98729-11
0.561
DAR-DIA-2b784ede-45
0.558
LON-WEI-b8d98729-22
0.551
LON-WEI-d1c9908a-2
0.551
LON-WEI-adc59df6-41
0.542
DAR-DIA-2b784ede-42
0.533
LON-WEI-b8d98729-44
0.529
LON-WEI-d1c9908a-7
0.490
JAN-GHE-d851b096-4
0.490
RAL-MED-9a5eb9cb-14
0.474
DAR-DIA-2b784ede-47
0.468
RIT-AID-af4ac3d4-1
0.466
LON-WEI-adc59df6-46
0.466
BRU-LEF-e1854a6f-1
0.465
DAR-DIA-2b784ede-43
0.464
LON-WEI-b8d98729-35
0.462
JAN-GHE-d851b096-9
0.460
NIM-NMI-8bb27a2b-8
0.459
LON-WEI-b8d98729-14
0.457
LON-WEI-adc59df6-12
0.457
BRU-LEF-973da26b-1
0.455
LON-WEI-b8d98729-27
0.452
RAL-MED-9a5eb9cb-9
0.450
LON-WEI-8f408cad-10
0.449
LON-WEI-adc59df6-5
0.448
RAL-MED-9a5eb9cb-6
0.447
LON-WEI-adc59df6-15
0.443
LON-WEI-adc59df6-33
0.443
ALP-POS-568d9d36-1
0.443
LON-WEI-adc59df6-13
0.442
LON-WEI-b8d98729-47
0.442
WIL-UNI-a125ac6f-1
0.440
LON-WEI-adc59df6-20
0.438
LON-WEI-d1c9908a-11
0.438
LON-WEI-b8d98729-12
0.438
ERI-UCB-fbdd3ea1-13
0.436
LON-WEI-adc59df6-3
0.432
LON-WEI-adc59df6-42
0.431
NIM-NMI-8bb27a2b-13
0.431
LON-WEI-adc59df6-24
0.431
ERI-UCB-fbdd3ea1-11
0.430
JAN-GHE-d851b096-8
0.430
LON-WEI-d1c9908a-5
0.430
NIM-NMI-8bb27a2b-25
0.430
LON-WEI-adc59df6-37
0.430
LON-WEI-b8d98729-9
0.427
LON-WEI-adc59df6-4
0.427
LON-WEI-adc59df6-43
0.427
ERI-UCB-fbdd3ea1-12
0.427
LON-WEI-b8d98729-25
0.425
LON-WEI-adc59df6-11
0.420
LON-WEI-b8d98729-15
0.420
NIM-NMI-8bb27a2b-9
0.420
LON-WEI-adc59df6-45
0.414
LON-WEI-adc59df6-30
0.414
RAL-MED-9a5eb9cb-8
0.413
ERI-UCB-fbdd3ea1-28
0.412
LON-WEI-8f408cad-8
0.408
LON-WEI-adc59df6-23
0.407
LON-WEI-adc59df6-44
0.406
ERI-UCB-fbdd3ea1-14
0.405
LON-WEI-adc59df6-21
0.404
NIM-NMI-8bb27a2b-3
0.404
LON-WEI-adc59df6-9
0.404
LON-WEI-b8d98729-23
0.402
NIM-NMI-8bb27a2b-6
0.402
NIM-NMI-8bb27a2b-7
0.402
LON-WEI-adc59df6-16
0.400
LON-WEI-adc59df6-81
0.400
LON-WEI-adc59df6-18
0.398
LON-WEI-adc59df6-100
0.398
ALP-POS-02c6a514-56
0.398
LON-WEI-adc59df6-14
0.398
LON-WEI-d1c9908a-3
0.396
NIM-NMI-8bb27a2b-28
0.394
ERI-UCB-fbdd3ea1-15
0.394
RAL-MED-9a5eb9cb-10
0.394
NIM-NMI-8bb27a2b-26
0.393
ERI-UCB-fbdd3ea1-7
0.393
NIM-NMI-8bb27a2b-4
0.393
LON-WEI-adc59df6-38
0.392
LON-WEI-b8d98729-16
0.391
NIM-NMI-8bb27a2b-14
0.391
RAL-MED-9a5eb9cb-4
0.391
LON-WEI-adc59df6-34
0.391
LON-WEI-8f408cad-9
0.390
LON-WEI-adc59df6-35
0.390
LON-WEI-adc59df6-74
0.390
LON-WEI-adc59df6-79
0.390
RAL-MED-9a5eb9cb-1
0.389
LON-WEI-adc59df6-39
0.389
LON-WEI-d1c9908a-9
0.387