Molecular Properties | |
SMILES: | O=C(NCCc1cccc(F)c1)C(c1cccnc1)N(C(=O)c1cocn1)c1ccc(-c2nnc3n2CCC3)cc1 |
MW: | 551.21 |
Fraction sp3: | 0.2 |
HBA: | 8 |
HBD: | 1 |
Rotatable Bonds: | 9 |
TPSA: | 119.04 |
cLogP: | 4.16 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 99.5 |
Order Status | |
Shipped: | synthesis in progress |
Long aliphatic chain
ALP-POS-ced8ea4d-27
0.736
ALP-POS-02c6a514-50
0.713
ALP-POS-ced8ea4d-17
0.704
ALP-UNI-fe744232-18
0.700
ALP-UNI-fe744232-22
0.699
ALP-POS-95f71980-10
0.698
ALP-POS-95f71980-36
0.696
ALP-UNI-fe744232-11
0.696
ALP-POS-95f71980-34
0.692
ALP-POS-ced8ea4d-9
0.691
ALP-POS-ced8ea4d-62
0.690
ALP-POS-ced8ea4d-28
0.685
ALP-POS-ced8ea4d-19
0.685
ALP-POS-ced8ea4d-67
0.679
ALP-UNI-fe744232-3
0.679
ALP-POS-ced8ea4d-5
0.673
ALP-POS-ced8ea4d-11
0.673
ALP-POS-ced8ea4d-52
0.673
ALP-UNI-fe744232-14
0.673
ALP-POS-ced8ea4d-63
0.667
ALP-POS-ced8ea4d-51
0.667
ALP-UNI-fe744232-9
0.667
ALP-POS-ced8ea4d-12
0.667
ALP-POS-95f71980-28
0.664
ALP-POS-ced8ea4d-16
0.664
ALP-POS-95f71980-3
0.664
ALP-POS-95f71980-15
0.661
ALP-UNI-fe744232-12
0.661
ALP-POS-95f71980-33
0.655
ALP-UNI-fe744232-15
0.655
ALP-UNI-fe744232-30
0.655
ALP-POS-95f71980-27
0.650
ALP-UNI-fe744232-13
0.650
ALP-UNI-fe744232-17
0.650
ALP-UNI-fe744232-1
0.650
ALP-POS-ced8ea4d-37
0.649
ALP-UNI-fe744232-25
0.642
ALP-POS-95f71980-35
0.636
ALP-POS-ced8ea4d-32
0.634
ALP-POS-ced8ea4d-53
0.633
ALP-UNI-fe744232-19
0.633
ALP-POS-ced8ea4d-39
0.629
ALP-POS-ced8ea4d-49
0.629
ALP-POS-95f71980-20
0.624
ALP-POS-95f71980-1
0.624
ALP-POS-ced8ea4d-47
0.623
ALP-POS-ced8ea4d-44
0.622
ALP-POS-95f71980-37
0.619
ALP-POS-ced8ea4d-59
0.617
ALP-POS-ced8ea4d-25
0.616
ALP-POS-95f71980-14
0.612
ALP-POS-95f71980-32
0.608
ALP-POS-ced8ea4d-38
0.607
ALP-POS-ced8ea4d-24
0.607
ALP-POS-95f71980-39
0.605
ALP-POS-ced8ea4d-65
0.605
ALP-POS-ced8ea4d-1
0.603
ALP-POS-95f71980-16
0.602
ALP-POS-95f71980-13
0.602
ALP-POS-ced8ea4d-8
0.602
ALP-POS-ced8ea4d-21
0.602
ALP-POS-ced8ea4d-10
0.598
ALP-POS-d0876c20-17
0.596
ALP-POS-95f71980-9
0.595
ALP-POS-ced8ea4d-20
0.593
ALP-POS-95f71980-31
0.592
ALP-POS-d0876c20-5
0.591
ALP-POS-ced8ea4d-36
0.589
ALP-POS-ced8ea4d-18
0.587
ALP-POS-ced8ea4d-50
0.584
ALP-POS-95f71980-26
0.581
ALP-POS-ced8ea4d-15
0.579
ALP-POS-95f71980-5
0.579
ALP-POS-95f71980-40
0.577
ALP-POS-95f71980-12
0.574
ALP-POS-ced8ea4d-30
0.573
ALP-POS-95f71980-41
0.569
ALP-POS-95f71980-8
0.568
ALP-POS-ced8ea4d-22
0.567
ALP-POS-ced8ea4d-13
0.567
BRU-THA-92256091-24
0.564
ALP-POS-95f71980-4
0.564
ALP-POS-95f71980-30
0.562
ALP-POS-ced8ea4d-34
0.560
ALP-POS-ced8ea4d-45
0.556
BRU-THA-92256091-83
0.556
ALP-POS-95f71980-17
0.556
ALP-POS-305f6ec3-48
0.555
MAT-POS-f2460aef-3
0.555
WIL-UNI-354943b6-12
0.553
ALP-POS-ced8ea4d-7
0.552
ALP-POS-ced8ea4d-64
0.551
ALP-POS-ced8ea4d-54
0.550
ALP-POS-d0876c20-1
0.549
WIL-UNI-354943b6-4
0.548
ALP-POS-305f6ec3-46
0.546
PET-UNK-48ab5cd7-3
0.546
ALP-POS-d0876c20-14
0.546
WIL-UNI-354943b6-10
0.545
ALP-POS-305f6ec3-12
0.545