Molecular Properties | |
SMILES: | O=C(NCCc1cccc(F)c1)C(c1cccnc1)N(C(=O)c1cnc[nH]1)c1ccc2c(c1)COCC2 |
MW: | 499.2 |
Fraction sp3: | 0.21 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 8 |
TPSA: | 100.21 |
cLogP: | 3.76 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 99.0 |
Order Status | |
Shipped: | synthesis in progress |
Long aliphatic chain
ALP-POS-e980f4ea-47
0.853
BRU-THA-92256091-54
0.759
ALP-POS-ced8ea4d-53
0.734
ALP-POS-e980f4ea-59
0.697
ALP-POS-e980f4ea-27
0.689
ALP-POS-e980f4ea-62
0.685
ALP-POS-e980f4ea-1
0.678
ALP-POS-e980f4ea-25
0.675
ALP-POS-e980f4ea-28
0.670
ALP-POS-e980f4ea-19
0.670
ALP-POS-e980f4ea-21
0.670
ALP-POS-e980f4ea-30
0.655
ALP-POS-e980f4ea-18
0.655
ALP-POS-e980f4ea-9
0.654
ALP-POS-e980f4ea-11
0.651
BRU-THA-92256091-55
0.647
ALP-POS-e980f4ea-44
0.643
ALP-POS-e980f4ea-67
0.642
ALP-POS-e980f4ea-52
0.642
ALP-POS-e980f4ea-37
0.642
ALP-POS-e980f4ea-10
0.640
ALP-POS-e980f4ea-38
0.637
ALP-POS-e980f4ea-51
0.636
ALP-POS-e980f4ea-49
0.636
ALP-POS-e980f4ea-39
0.636
ALP-POS-e980f4ea-5
0.636
ALP-POS-e980f4ea-12
0.636
ALP-POS-e980f4ea-36
0.635
ALP-POS-e980f4ea-65
0.635
ALP-POS-ced8ea4d-47
0.632
ALP-POS-e980f4ea-50
0.629
ALP-POS-e980f4ea-15
0.629
ALP-POS-e980f4ea-32
0.627
ALP-POS-e980f4ea-20
0.626
ALP-POS-e980f4ea-24
0.626
ALP-POS-e980f4ea-8
0.626
ALP-POS-e980f4ea-63
0.625
ALP-POS-e980f4ea-17
0.612
ALP-POS-e980f4ea-16
0.609
ALP-POS-e980f4ea-66
0.560
ALP-POS-e980f4ea-7
0.560
ALP-POS-e980f4ea-34
0.559
ALP-POS-e980f4ea-14
0.551
ALP-POS-e980f4ea-54
0.549
ALP-POS-e980f4ea-64
0.545
ALP-POS-305f6ec3-59
0.544
ALP-POS-e980f4ea-43
0.542
ALP-POS-e980f4ea-35
0.541
ALP-POS-e980f4ea-13
0.539
ALP-POS-e980f4ea-22
0.539
ALP-POS-e980f4ea-45
0.533
ALP-POS-02c6a514-52
0.530
ALP-POS-e980f4ea-56
0.529
ALP-POS-e980f4ea-3
0.525
ALP-POS-e980f4ea-23
0.525
ALP-POS-ced8ea4d-25
0.523
BRU-THA-92256091-76
0.523
ALP-POS-e980f4ea-41
0.521
ALP-POS-e980f4ea-2
0.521
ALP-POS-e980f4ea-29
0.521
BRU-THA-92256091-80
0.521
BRU-THA-92256091-79
0.520
ALP-POS-e980f4ea-55
0.520
ALP-POS-02c6a514-39
0.517
ALP-POS-b0bc6a46-24
0.517
BRU-THA-92256091-24
0.517
ALP-POS-e980f4ea-6
0.516
ALP-POS-e980f4ea-46
0.516
BRU-THA-92256091-78
0.516
PET-UNK-48ab5cd7-2
0.513
PET-UNK-7d68125a-1
0.513
ALP-POS-ced8ea4d-27
0.513
WIL-UNI-354943b6-2
0.513
ALP-POS-305f6ec3-52
0.513
ALP-POS-305f6ec3-39
0.513
ALP-POS-e980f4ea-40
0.512
ALP-POS-e980f4ea-33
0.512
ALP-POS-e980f4ea-42
0.512
ALP-POS-e980f4ea-57
0.512
ALP-POS-e980f4ea-60
0.512
ALP-POS-e980f4ea-4
0.512
ALP-POS-ced8ea4d-1
0.512
ALF-EVA-719172df-6
0.509
ALP-POS-02c6a514-37
0.509
ALP-POS-b0bc6a46-22
0.509
ALP-POS-02c6a514-46
0.508
ALP-UNI-fe744232-3
0.508
ALP-POS-e980f4ea-58
0.508
WIL-UNI-354943b6-12
0.508
ALP-POS-ced8ea4d-62
0.508
ALP-POS-e980f4ea-48
0.508
ALP-POS-ced8ea4d-59
0.508
BRU-THA-92256091-67
0.508
ALP-POS-ced8ea4d-18
0.508
ALP-POS-b0bc6a46-16
0.508
ALP-POS-02c6a514-27
0.508
ALP-POS-02c6a514-38
0.504
ALP-POS-b0bc6a46-23
0.504
JOE-NOR-4e4adc6b-1
0.504
ALP-POS-1245c3fa-1
0.504