Molecular Properties | |
SMILES: | O=C(Nc1ccc(N(C(=O)c2cocn2)C(C(=O)NCCc2cccc(F)c2)c2cccnc2)cc1)NC1CC1 |
MW: | 542.21 |
Fraction sp3: | 0.21 |
HBA: | 6 |
HBD: | 3 |
Rotatable Bonds: | 10 |
TPSA: | 129.46 |
cLogP: | 4.24 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 99.5 |
Order Status | |
Shipped: | synthesis in progress |
Long aliphatic chain
ALP-UNI-fe744232-12
0.816
WIL-UNI-354943b6-6
0.787
ALP-POS-ced8ea4d-27
0.731
ALP-POS-02c6a514-50
0.724
ALP-POS-ced8ea4d-9
0.717
ALP-POS-ced8ea4d-62
0.716
ALP-POS-ced8ea4d-52
0.713
ALP-POS-ced8ea4d-28
0.712
ALP-UNI-fe744232-18
0.710
ALP-POS-ced8ea4d-19
0.710
ALP-UNI-fe744232-3
0.704
ALP-POS-ced8ea4d-67
0.704
ALP-UNI-fe744232-17
0.703
ALP-POS-ced8ea4d-17
0.699
ALP-UNI-fe744232-14
0.697
ALP-POS-ced8ea4d-5
0.697
ALP-POS-ced8ea4d-11
0.697
ALP-UNI-fe744232-22
0.694
ALP-UNI-fe744232-25
0.693
ALP-UNI-fe744232-9
0.691
ALP-POS-ced8ea4d-51
0.691
ALP-POS-95f71980-36
0.691
ALP-POS-ced8ea4d-12
0.691
ALP-UNI-fe744232-11
0.690
ALP-UNI-fe744232-1
0.688
ALP-POS-95f71980-34
0.687
ALP-POS-ced8ea4d-32
0.684
ALP-UNI-fe744232-15
0.679
ALP-UNI-fe744232-30
0.679
ALP-POS-ced8ea4d-63
0.676
ALP-POS-ced8ea4d-37
0.673
ALP-POS-95f71980-3
0.673
ALP-POS-ced8ea4d-16
0.673
ALP-POS-95f71980-27
0.672
ALP-UNI-fe744232-19
0.670
ALP-POS-ced8ea4d-49
0.667
ALP-POS-ced8ea4d-39
0.667
ALP-POS-95f71980-10
0.664
ALP-POS-95f71980-28
0.658
ALP-POS-95f71980-32
0.655
ALP-POS-95f71980-38
0.650
ALP-POS-95f71980-33
0.650
ALP-POS-95f71980-35
0.644
ALP-POS-95f71980-15
0.642
ALP-POS-ced8ea4d-59
0.638
WIL-UNI-354943b6-5
0.632
ALP-POS-ced8ea4d-44
0.629
ALP-POS-ced8ea4d-53
0.627
ALP-POS-ced8ea4d-24
0.627
ALP-POS-95f71980-37
0.626
ALP-POS-ced8ea4d-10
0.619
ALP-POS-ced8ea4d-47
0.617
ALP-POS-95f71980-9
0.616
ALP-POS-ced8ea4d-38
0.613
ALP-POS-95f71980-26
0.613
ALP-POS-ced8ea4d-20
0.613
ALP-POS-ced8ea4d-65
0.612
ALP-POS-ced8ea4d-25
0.610
ALP-POS-95f71980-13
0.609
ALP-POS-ced8ea4d-8
0.608
ALP-POS-ced8ea4d-21
0.608
ALP-POS-ced8ea4d-36
0.608
ALP-POS-ced8ea4d-18
0.607
ALP-POS-95f71980-14
0.605
ALP-POS-95f71980-1
0.603
ALP-POS-ced8ea4d-50
0.603
ALP-POS-ced8ea4d-15
0.598
ALP-POS-95f71980-39
0.598
ALP-POS-d0876c20-5
0.598
ALP-POS-ced8ea4d-1
0.597
ALP-POS-95f71980-16
0.595
ALP-POS-95f71980-20
0.590
ALP-POS-d0876c20-17
0.589
ALP-POS-ced8ea4d-7
0.586
ALP-POS-95f71980-5
0.585
ALP-POS-95f71980-31
0.585
ALP-POS-ced8ea4d-64
0.584
ALP-POS-95f71980-12
0.580
ALP-POS-ced8ea4d-30
0.578
ALP-POS-ced8ea4d-66
0.576
ALP-POS-95f71980-41
0.575
ALP-POS-95f71980-8
0.574
ALP-POS-ced8ea4d-35
0.574
ALP-POS-ced8ea4d-13
0.573
ALP-POS-ced8ea4d-22
0.573
ALP-POS-95f71980-40
0.570
ALP-POS-ced8ea4d-54
0.569
ALP-POS-ced8ea4d-14
0.567
ALP-POS-ced8ea4d-34
0.566
ALP-POS-ced8ea4d-45
0.562
ALP-POS-d0876c20-21
0.560
MAT-POS-f2460aef-3
0.560
BRU-THA-92256091-80
0.558
ALP-POS-ced8ea4d-2
0.558
ALP-POS-1245c3fa-1
0.557
ALP-POS-95f71980-4
0.557
BRU-THA-92256091-24
0.557
BRU-THA-92256091-15
0.556
ALP-POS-95f71980-30
0.556
ALP-POS-ced8ea4d-43
0.553