Molecular Properties | |
SMILES: | O=C(NCCc1cccc(F)c1)C(c1cccnc1)N(C(=O)c1c[nH]cn1)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
MAT-POS-f2460aef-1
BRU-THA-92256091-55
0.856
ALP-POS-ced8ea4d-53
0.802
ALP-POS-e980f4ea-53
0.759
BRU-THA-92256091-79
0.703
BRU-THA-92256091-24
0.695
ALP-POS-ced8ea4d-47
0.693
ALP-POS-1245c3fa-2
0.692
BRU-THA-92256091-80
0.691
BRU-THA-92256091-78
0.690
WIL-UNI-354943b6-2
0.685
ALP-POS-1245c3fa-1
0.679
BRU-THA-92256091-8
0.676
BRU-THA-92256091-19
0.676
WIL-UNI-354943b6-12
0.676
BRU-THA-92256091-22
0.673
BRU-THA-92256091-67
0.670
BRU-THA-92256091-76
0.669
MAT-POS-f2460aef-3
0.667
BRU-THA-92256091-68
0.664
BRU-THA-92256091-77
0.661
BRU-THA-92256091-15
0.661
BRU-THA-92256091-61
0.658
WIL-UNI-354943b6-7
0.658
BRU-THA-92256091-20
0.658
WIL-UNI-354943b6-10
0.655
BRU-THA-92256091-18
0.655
BRU-THA-92256091-32
0.655
WIL-UNI-354943b6-4
0.652
BRU-THA-92256091-64
0.652
BRU-THA-92256091-21
0.652
BRU-THA-92256091-63
0.650
BRU-THA-92256091-42
0.649
BRU-THA-92256091-62
0.649
BRU-THA-92256091-30
0.649
BRU-THA-92256091-23
0.649
BRU-THA-92256091-31
0.649
ALP-POS-e980f4ea-47
0.647
BRU-THA-92256091-52
0.647
BRU-THA-92256091-85
0.646
BRU-THA-92256091-91
0.644
BRU-THA-92256091-59
0.643
BRU-THA-92256091-14
0.643
BRU-THA-92256091-16
0.643
WIL-UNI-354943b6-3
0.643
BRU-THA-92256091-17
0.643
BRU-THA-92256091-66
0.641
WIL-UNI-354943b6-13
0.638
BRU-THA-92256091-51
0.638
BRU-THA-92256091-65
0.638
WIL-UNI-354943b6-5
0.637
BRU-THA-92256091-75
0.637
BRU-THA-92256091-92
0.636
BRU-THA-92256091-44
0.636
WIL-UNI-354943b6-1
0.635
BRU-THA-92256091-84
0.633
BRU-THA-92256091-60
0.632
WIL-UNI-354943b6-14
0.632
WIL-UNI-354943b6-8
0.632
BRU-THA-92256091-93
0.627
WIL-UNI-354943b6-9
0.626
BRU-THA-92256091-83
0.619
BRU-THA-92256091-86
0.615
WIL-UNI-354943b6-6
0.613
WIL-UNI-354943b6-11
0.610
ALP-POS-ced8ea4d-1
0.576
BRU-THA-92256091-50
0.575
BRU-THA-92256091-11
0.573
BRU-THA-92256091-1
0.568
BRU-THA-92256091-12
0.567
BRU-THA-92256091-10
0.563
ALP-POS-ced8ea4d-59
0.562
BRU-THA-92256091-7
0.558
ALP-POS-ced8ea4d-27
0.557
BRU-THA-92256091-9
0.556
BRU-THA-92256091-13
0.556
BRU-THA-92256091-88
0.553
BRU-THA-92256091-6
0.552
ALP-POS-ced8ea4d-25
0.551
ALP-UNI-fe744232-3
0.551
BRU-THA-92256091-39
0.550
ALP-POS-ced8ea4d-62
0.550
BRU-THA-92256091-29
0.549
BRU-THA-92256091-49
0.549
ALP-POS-ced8ea4d-30
0.546
ALP-UNI-fe744232-22
0.545
ALP-POS-ced8ea4d-10
0.545
BRU-THA-92256091-2
0.542
ALP-POS-ced8ea4d-19
0.542
ALP-POS-ced8ea4d-38
0.540
ALP-POS-ced8ea4d-28
0.539
ALP-POS-02c6a514-50
0.538
BRU-THA-92256091-25
0.537
BRU-THA-92256091-3
0.537
BRU-THA-92256091-5
0.537
ALP-POS-95f71980-37
0.537
ALP-POS-ced8ea4d-21
0.536
ALP-POS-ced8ea4d-18
0.535
ALP-POS-ced8ea4d-9
0.534
ALP-UNI-fe744232-14
0.533
ALP-POS-ced8ea4d-11
0.533