Molecular Properties | |
SMILES: | CC(C)(C)c1ccc(N(C(=O)c2cocn2)C(C(=O)NCCc2cccc(F)c2)c2cnccn2)cc1 |
MW: | 501.22 |
Fraction sp3: | 0.25 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 8 |
TPSA: | 101.22 |
cLogP: | 4.65 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 1.21141049355378 |
Order Status | |
Shipped: | synthesis in progress |
Long aliphatic chain
ALP-POS-d0876c20-10
0.760
ALP-POS-02c6a514-50
0.750
ALP-POS-d0876c20-17
0.737
ALP-POS-d0876c20-5
0.729
ALP-POS-d0876c20-1
0.720
ALP-POS-d0876c20-14
0.704
ALP-POS-d0876c20-15
0.680
ALP-POS-d0876c20-16
0.676
ALP-POS-d0876c20-19
0.676
ALP-UNI-fe744232-18
0.667
ALP-POS-d0876c20-11
0.654
ALP-POS-d0876c20-3
0.654
ALP-POS-d0876c20-18
0.648
ALP-POS-95f71980-36
0.648
ALP-POS-d0876c20-7
0.648
ALP-POS-d0876c20-13
0.645
ALP-POS-d0876c20-24
0.645
ALP-POS-d0876c20-12
0.645
ALP-POS-d0876c20-9
0.642
ALP-POS-d0876c20-2
0.642
ALP-POS-d0876c20-20
0.636
ALP-POS-ced8ea4d-27
0.621
ALP-POS-d0876c20-23
0.618
ALP-POS-ced8ea4d-28
0.618
ALP-UNI-fe744232-9
0.617
ALP-POS-ced8ea4d-37
0.613
ALP-POS-d9b6304e-1
0.613
ALP-POS-a2344586-2
0.613
ALP-POS-d0876c20-4
0.611
ALP-POS-ced8ea4d-9
0.610
ALP-UNI-fe744232-15
0.606
ALP-POS-ced8ea4d-19
0.604
ALP-UNI-fe744232-17
0.600
ALP-POS-ced8ea4d-16
0.600
ALP-UNI-fe744232-3
0.598
ALP-POS-ced8ea4d-67
0.598
ALP-POS-95f71980-37
0.596
ALP-POS-ced8ea4d-62
0.596
ALP-UNI-fe744232-14
0.593
ALP-POS-ced8ea4d-52
0.593
ALP-POS-ced8ea4d-5
0.593
ALP-POS-ced8ea4d-11
0.593
ALP-POS-ced8ea4d-12
0.587
ALP-POS-ced8ea4d-51
0.587
ALP-UNI-fe744232-1
0.586
ALP-UNI-fe744232-19
0.584
ALP-UNI-fe744232-12
0.582
ALP-UNI-fe744232-22
0.577
ALP-UNI-fe744232-30
0.577
ALP-POS-d0876c20-6
0.576
ALP-POS-d0876c20-8
0.576
ALP-POS-95f71980-14
0.574
ALP-POS-95f71980-3
0.571
ALP-POS-ced8ea4d-17
0.570
MAT-POS-f2460aef-3
0.570
ALP-POS-305f6ec3-57
0.569
ALP-POS-95f71980-4
0.566
ALP-POS-95f71980-10
0.565
ALP-POS-ced8ea4d-49
0.564
ALP-POS-ced8ea4d-39
0.564
ALP-UNI-fe744232-11
0.561
ALP-POS-305f6ec3-46
0.561
PET-UNK-48ab5cd7-3
0.561
ALP-UNI-fe744232-13
0.560
ALP-POS-95f71980-35
0.560
ALP-POS-305f6ec3-12
0.559
ALP-POS-95f71980-17
0.557
ALP-POS-305f6ec3-48
0.556
ALP-POS-95f71980-25
0.556
ALP-POS-95f71980-31
0.554
ALP-POS-95f71980-39
0.554
ALP-POS-d0876c20-22
0.553
ALP-POS-95f71980-33
0.552
ALP-UNI-fe744232-25
0.552
ALP-POS-02c6a514-12
0.551
ALP-POS-305f6ec3-49
0.551
ALP-POS-95f71980-23
0.550
ALP-POS-305f6ec3-50
0.550
ALP-POS-95f71980-16
0.550
LON-WEI-2e27a2e5-2
0.548
ALP-POS-ced8ea4d-10
0.548
MAT-POS-f2460aef-2
0.547
ALP-POS-95f71980-21
0.547
MAT-POS-f2460aef-1
0.547
LON-WEI-2e27a2e5-1
0.547
ALP-POS-95f71980-34
0.547
ALP-POS-95f71980-27
0.547
ALP-POS-95f71980-28
0.547
ALP-POS-02c6a514-22
0.546
ALP-POS-305f6ec3-27
0.546
ALF-EVA-719172df-2
0.545
ALP-POS-95f71980-20
0.545
ALP-POS-ced8ea4d-63
0.545
ALP-POS-ced8ea4d-44
0.544
ALP-POS-ced8ea4d-53
0.543
ALP-POS-02c6a514-11
0.543
ALP-POS-95f71980-38
0.542
MAT-POS-f2460aef-5
0.541
PET-UNK-48ab5cd7-1
0.541
ALP-POS-95f71980-24
0.541