Molecular Properties | |
SMILES: | O=C(NCCc1cccc(F)c1)C(c1cccnc1)N(C(=O)c1c[nH]cn1)c1ccc(OC(F)F)cc1 |
MW: | 509.17 |
Fraction sp3: | 0.15 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 10 |
TPSA: | 100.21 |
cLogP: | 4.29 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 22.1334497786516 |
Order Status | |
Shipped: | synthesis in progress |
Long aliphatic chain
MAT-POS-f2460aef-1
BRU-THA-92256091-17
0.872
BRU-THA-92256091-19
0.840
BRU-THA-92256091-18
0.832
BRU-THA-92256091-22
0.800
WIL-UNI-354943b6-14
0.798
BRU-THA-92256091-24
0.789
ALP-POS-1245c3fa-1
0.789
BRU-THA-92256091-30
0.786
MAT-POS-f2460aef-3
0.773
ALP-POS-ced8ea4d-51
0.770
BRU-THA-92256091-8
0.768
BRU-THA-92256091-23
0.768
BRU-THA-92256091-15
0.765
WIL-UNI-354943b6-2
0.758
WIL-UNI-354943b6-10
0.758
BRU-THA-92256091-93
0.752
BRU-THA-92256091-42
0.748
BRU-THA-92256091-80
0.745
BRU-THA-92256091-14
0.743
BRU-THA-92256091-20
0.743
WIL-UNI-354943b6-3
0.743
WIL-UNI-354943b6-7
0.743
ALP-POS-e980f4ea-51
0.740
WIL-UNI-354943b6-9
0.738
BRU-THA-92256091-21
0.735
WIL-UNI-354943b6-5
0.735
WIL-UNI-354943b6-8
0.728
WIL-UNI-354943b6-12
0.728
BRU-THA-92256091-85
0.728
BRU-THA-92256091-84
0.725
WIL-UNI-354943b6-11
0.717
BRU-THA-92256091-31
0.716
WIL-UNI-354943b6-1
0.714
BRU-THA-92256091-86
0.708
BRU-THA-92256091-32
0.706
WIL-UNI-354943b6-13
0.701
WIL-UNI-354943b6-4
0.701
WIL-UNI-de614146-7
0.700
ALP-POS-1245c3fa-2
0.696
BRU-THA-92256091-83
0.694
WIL-UNI-354943b6-6
0.688
WIL-UNI-de614146-1
0.685
WIL-UNI-de614146-8
0.676
BRU-THA-92256091-91
0.676
WIL-UNI-de614146-5
0.670
ALP-POS-ced8ea4d-12
0.670
BRU-THA-92256091-75
0.670
BRU-THA-92256091-62
0.667
WIL-UNI-de614146-11
0.667
WIL-UNI-de614146-4
0.663
BRU-THA-92256091-59
0.661
BRU-THA-92256091-61
0.661
BRU-THA-92256091-66
0.658
BRU-THA-92256091-51
0.655
BRU-THA-92256091-65
0.655
BRU-THA-92256091-64
0.655
BRU-THA-92256091-44
0.652
BRU-THA-92256091-92
0.652
BRU-THA-92256091-60
0.649
BRU-THA-92256091-52
0.649
BRU-THA-92256091-79
0.645
WIL-UNI-de614146-6
0.645
BRU-THA-92256091-54
0.643
BRU-THA-92256091-67
0.643
ALP-POS-ced8ea4d-19
0.642
ALP-POS-e980f4ea-12
0.642
WIL-UNI-de614146-10
0.639
WIL-UNI-de614146-15
0.639
BRU-THA-92256091-63
0.637
BRU-THA-92256091-55
0.637
BRU-THA-92256091-68
0.637
ALP-POS-ced8ea4d-67
0.636
BRU-THA-92256091-76
0.629
WIL-UNI-de614146-3
0.629
WIL-UNI-de614146-13
0.627
WIL-UNI-de614146-14
0.623
BRU-THA-92256091-12
0.622
BRU-THA-92256091-78
0.621
WIL-UNI-de614146-9
0.620
BRU-THA-92256091-11
0.618
WIL-UNI-de614146-12
0.617
ALP-POS-e980f4ea-67
0.617
BRU-THA-92256091-7
0.615
ALP-POS-e980f4ea-19
0.613
ALP-UNI-fe744232-30
0.613
WIL-UNI-de614146-2
0.611
WIL-UNI-de614146-16
0.611
BRU-THA-92256091-77
0.608
ALP-POS-305f6ec3-14
0.607
ALP-POS-305f6ec3-33
0.606
ALP-POS-ced8ea4d-39
0.600
ALP-POS-ced8ea4d-27
0.598
ALP-POS-e980f4ea-39
0.596
ALP-POS-02c6a514-37
0.594
ALP-POS-b0bc6a46-22
0.594
ALP-POS-02c6a514-50
0.593
BRU-THA-92256091-6
0.593
BRU-THA-92256091-88
0.591
BRU-THA-92256091-25
0.589
ALP-POS-ced8ea4d-9
0.587