Molecular Properties | |
SMILES: | CN(C)c1ncc(C(C(=O)NCCc2cccc(F)c2)N(C(=O)c2cocn2)c2ccc(C(C)(C)C)cc2)cn1 |
MW: | 544.26 |
Fraction sp3: | 0.3 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 9 |
TPSA: | 104.46 |
cLogP: | 4.71 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 99.5 |
Order Status | |
Shipped: | synthesis in progress |
Long aliphatic chain
ALP-POS-d0876c20-17
0.802
ALP-POS-d0876c20-5
0.774
ALP-POS-02c6a514-50
0.758
ALP-POS-d0876c20-13
0.750
ALP-POS-d0876c20-24
0.750
ALP-POS-d0876c20-12
0.750
ALP-POS-d0876c20-10
0.732
ALP-POS-d0876c20-3
0.710
ALP-POS-d0876c20-21
0.704
ALP-POS-d0876c20-1
0.693
ALP-POS-d0876c20-4
0.676
ALP-UNI-fe744232-18
0.673
ALP-POS-d0876c20-15
0.670
ALP-POS-d0876c20-19
0.667
ALP-POS-d0876c20-16
0.667
ALP-POS-d0876c20-11
0.660
ALP-POS-d0876c20-7
0.654
ALP-POS-95f71980-36
0.654
ALP-POS-d0876c20-9
0.648
ALP-POS-d0876c20-2
0.648
ALP-POS-d0876c20-20
0.642
ALP-POS-d0876c20-18
0.639
ALP-POS-d0876c20-23
0.639
ALP-POS-ced8ea4d-27
0.627
ALP-POS-a2344586-2
0.618
ALP-POS-d9b6304e-1
0.618
ALP-POS-ced8ea4d-9
0.615
ALP-POS-ced8ea4d-52
0.613
ALP-POS-ced8ea4d-19
0.610
ALP-POS-ced8ea4d-28
0.608
ALP-UNI-fe744232-9
0.607
ALP-POS-ced8ea4d-16
0.606
ALP-POS-ced8ea4d-67
0.604
ALP-UNI-fe744232-3
0.604
ALP-UNI-fe744232-14
0.598
ALP-POS-ced8ea4d-5
0.598
ALP-POS-ced8ea4d-11
0.598
ALP-UNI-fe744232-15
0.596
ALP-POS-d0876c20-8
0.595
ALP-POS-ced8ea4d-12
0.593
ALP-POS-ced8ea4d-51
0.593
ALP-UNI-fe744232-17
0.591
ALP-UNI-fe744232-12
0.587
ALP-POS-ced8ea4d-62
0.587
ALP-POS-95f71980-37
0.587
ALP-UNI-fe744232-22
0.582
ALP-UNI-fe744232-30
0.582
ALP-POS-d0876c20-6
0.581
ALP-UNI-fe744232-1
0.577
ALP-POS-95f71980-3
0.577
MAT-POS-f2460aef-3
0.575
ALP-UNI-fe744232-19
0.575
ALP-POS-ced8ea4d-17
0.575
ALP-POS-ced8ea4d-37
0.574
ALP-POS-95f71980-4
0.571
ALP-POS-95f71980-10
0.570
ALP-POS-305f6ec3-54
0.569
ALP-UNI-fe744232-11
0.566
ALP-POS-305f6ec3-46
0.566
PET-UNK-48ab5cd7-3
0.566
ALP-POS-95f71980-35
0.565
ALP-POS-305f6ec3-12
0.564
ALP-POS-95f71980-17
0.562
ALP-POS-305f6ec3-48
0.561
ALP-POS-95f71980-25
0.561
ALP-POS-95f71980-5
0.559
ALP-POS-d0876c20-22
0.557
ALP-POS-95f71980-33
0.557
ALP-UNI-fe744232-25
0.557
ALP-POS-95f71980-23
0.556
ALP-POS-95f71980-13
0.555
ALP-POS-ced8ea4d-39
0.555
ALP-POS-ced8ea4d-49
0.555
ALP-POS-305f6ec3-50
0.555
LON-WEI-2e27a2e5-2
0.553
ALP-POS-95f71980-11
0.553
ALP-POS-95f71980-28
0.552
ALP-POS-95f71980-27
0.552
ALP-POS-95f71980-34
0.552
ALP-UNI-fe744232-13
0.552
ALP-POS-95f71980-14
0.550
ALP-POS-02c6a514-11
0.548
MAT-POS-f2460aef-5
0.546
ALP-POS-95f71980-7
0.546
ALP-POS-95f71980-24
0.546
ALP-POS-305f6ec3-14
0.546
PET-UNK-48ab5cd7-1
0.546
ALP-POS-95f71980-38
0.546
ALP-POS-305f6ec3-33
0.545
ALP-POS-95f71980-31
0.545
ALP-POS-305f6ec3-49
0.542
ALP-POS-02c6a514-12
0.542
ALP-POS-95f71980-16
0.541
ALP-POS-95f71980-12
0.540
ALP-POS-ced8ea4d-50
0.538
ALP-POS-ced8ea4d-32
0.538
ALP-POS-95f71980-15
0.538
LON-WEI-2e27a2e5-1
0.538
MAT-POS-f2460aef-2
0.538
ALP-POS-02c6a514-26
0.538