Molecular Properties | |
SMILES: | COc1ccc(N(C(=O)c2c[nH]cn2)C(C(=O)NCCc2cccc(F)c2)c2cccnc2)cc1 |
MW: | 473.19 |
Fraction sp3: | 0.15 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 9 |
TPSA: | 100.21 |
cLogP: | 3.7 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 93.7197064670285 |
Order Status | |
Shipped: | synthesis in progress |
Long aliphatic chain
MAT-POS-f2460aef-1
BRU-THA-92256091-18
0.859
WIL-UNI-354943b6-14
0.842
BRU-THA-92256091-16
0.840
BRU-THA-92256091-17
0.840
BRU-THA-92256091-24
0.815
ALP-POS-1245c3fa-1
0.815
BRU-THA-92256091-23
0.811
BRU-THA-92256091-22
0.806
MAT-POS-f2460aef-3
0.798
BRU-THA-92256091-8
0.793
BRU-THA-92256091-15
0.789
WIL-UNI-354943b6-2
0.781
WIL-UNI-354943b6-10
0.781
BRU-THA-92256091-93
0.775
BRU-THA-92256091-80
0.768
BRU-THA-92256091-85
0.768
WIL-UNI-354943b6-7
0.765
BRU-THA-92256091-14
0.765
BRU-THA-92256091-20
0.765
WIL-UNI-354943b6-3
0.765
ALP-POS-ced8ea4d-19
0.763
BRU-THA-92256091-21
0.758
WIL-UNI-354943b6-5
0.758
WIL-UNI-354943b6-8
0.750
WIL-UNI-354943b6-12
0.750
BRU-THA-92256091-84
0.745
WIL-UNI-354943b6-9
0.743
BRU-THA-92256091-30
0.737
BRU-THA-92256091-31
0.737
WIL-UNI-354943b6-1
0.735
ALP-POS-e980f4ea-19
0.732
BRU-THA-92256091-86
0.728
BRU-THA-92256091-32
0.727
WIL-UNI-354943b6-11
0.721
WIL-UNI-354943b6-13
0.721
WIL-UNI-354943b6-4
0.721
BRU-THA-92256091-42
0.718
ALP-POS-1245c3fa-2
0.717
BRU-THA-92256091-44
0.717
BRU-THA-92256091-83
0.714
ALP-POS-b0bc6a46-22
0.711
ALP-POS-02c6a514-37
0.711
WIL-UNI-354943b6-6
0.708
BRU-THA-92256091-61
0.695
BRU-THA-92256091-59
0.695
BRU-THA-92256091-91
0.694
BRU-THA-92256091-75
0.689
BRU-THA-92256091-65
0.689
BRU-THA-92256091-64
0.689
WIL-UNI-de614146-1
0.689
BRU-THA-92256091-62
0.686
BRU-THA-92256091-60
0.682
BRU-THA-92256091-66
0.676
BRU-THA-92256091-54
0.676
BRU-THA-92256091-67
0.676
BRU-THA-92256091-51
0.673
WIL-UNI-de614146-7
0.670
BRU-THA-92256091-12
0.670
WIL-UNI-de614146-11
0.670
BRU-THA-92256091-92
0.670
BRU-THA-92256091-55
0.670
BRU-THA-92256091-63
0.670
BRU-THA-92256091-68
0.670
BRU-THA-92256091-52
0.667
BRU-THA-92256091-79
0.664
ALP-POS-ced8ea4d-67
0.654
WIL-UNI-de614146-4
0.650
WIL-UNI-de614146-8
0.647
ALP-UNI-fe744232-30
0.645
ALP-POS-ced8ea4d-12
0.642
ALP-POS-ced8ea4d-51
0.642
WIL-UNI-de614146-10
0.642
WIL-UNI-de614146-5
0.641
BRU-THA-92256091-78
0.637
BRU-THA-92256091-11
0.636
ALP-POS-e980f4ea-67
0.635
BRU-THA-92256091-7
0.634
BRU-THA-92256091-76
0.632
ALP-POS-305f6ec3-14
0.625
ALP-POS-02c6a514-25
0.625
ALP-POS-305f6ec3-33
0.623
ALP-POS-ced8ea4d-52
0.617
WIL-UNI-de614146-6
0.617
ALP-POS-ced8ea4d-27
0.615
ALP-POS-e980f4ea-12
0.613
ALP-POS-e980f4ea-51
0.613
WIL-UNI-de614146-15
0.611
BRU-THA-92256091-77
0.610
BRU-THA-92256091-6
0.610
ALP-POS-02c6a514-50
0.610
BRU-THA-92256091-88
0.607
ALP-POS-ced8ea4d-9
0.604
WIL-UNI-de614146-13
0.600
PET-UNK-48ab5cd7-3
0.600
BRU-THA-92256091-28
0.600
ALP-POS-305f6ec3-46
0.600
PET-UNK-48ab5cd7-2
0.600
WIL-UNI-de614146-3
0.600
ALP-UNI-fe744232-18
0.598
ALP-POS-ced8ea4d-28
0.596