Molecular Properties | |
SMILES: | CC(C)(C)c1ccc(N(C(=O)c2cocn2)C(C(=O)NCCc2cccc(F)c2)c2ccnnc2)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: | 2.05437972060318 |
Order Status | |
Shipped: | synthesis in progress |
Long aliphatic chain
ALP-POS-02c6a514-50
0.804
ALP-POS-d0876c20-17
0.791
ALP-POS-d0876c20-14
0.774
ALP-POS-d0876c20-21
0.729
ALP-POS-d0876c20-13
0.723
ALP-POS-d0876c20-24
0.723
ALP-POS-d0876c20-12
0.723
ALP-POS-d0876c20-1
0.717
ALP-POS-d0876c20-3
0.717
ALP-UNI-fe744232-18
0.714
ALP-POS-d0876c20-10
0.704
ALP-POS-95f71980-36
0.693
ALP-POS-d0876c20-15
0.676
ALP-POS-d0876c20-16
0.673
ALP-POS-ced8ea4d-27
0.667
ALP-POS-d0876c20-4
0.667
ALP-POS-d0876c20-11
0.667
ALP-POS-d0876c20-7
0.660
ALP-POS-d0876c20-19
0.657
ALP-POS-d0876c20-9
0.654
ALP-POS-d0876c20-2
0.654
ALP-POS-ced8ea4d-9
0.653
ALP-UNI-fe744232-14
0.650
ALP-POS-d0876c20-20
0.648
ALP-POS-ced8ea4d-19
0.647
ALP-POS-ced8ea4d-28
0.646
ALP-POS-d0876c20-18
0.645
ALP-POS-d0876c20-23
0.645
ALP-UNI-fe744232-9
0.644
ALP-POS-ced8ea4d-16
0.642
ALP-UNI-fe744232-3
0.641
ALP-POS-ced8ea4d-67
0.641
ALP-POS-ced8ea4d-62
0.638
ALP-POS-ced8ea4d-52
0.635
ALP-POS-ced8ea4d-5
0.635
ALP-POS-ced8ea4d-11
0.635
ALP-POS-95f71980-10
0.633
ALP-UNI-fe744232-15
0.632
ALP-UNI-fe744232-22
0.632
ALP-POS-ced8ea4d-51
0.629
ALP-POS-ced8ea4d-12
0.629
ALP-UNI-fe744232-17
0.626
ALP-POS-95f71980-3
0.626
ALP-POS-ced8ea4d-37
0.625
ALP-POS-ced8ea4d-17
0.624
ALP-POS-a2344586-2
0.624
ALP-POS-d9b6304e-1
0.624
ALP-POS-95f71980-37
0.623
ALP-UNI-fe744232-12
0.623
ALP-UNI-fe744232-30
0.617
ALP-UNI-fe744232-11
0.615
MAT-POS-f2460aef-3
0.612
ALP-UNI-fe744232-1
0.611
ALP-UNI-fe744232-19
0.609
ALP-POS-95f71980-4
0.608
ALP-POS-02c6a514-12
0.608
ALP-UNI-fe744232-25
0.604
PET-UNK-48ab5cd7-3
0.602
ALP-POS-305f6ec3-46
0.602
ALP-POS-d0876c20-6
0.600
ALP-POS-d0876c20-8
0.600
ALP-POS-95f71980-28
0.598
ALP-POS-95f71980-34
0.598
ALP-POS-95f71980-35
0.598
ALP-UNI-fe744232-13
0.598
ALP-POS-95f71980-27
0.598
ALP-POS-305f6ec3-12
0.598
ALP-POS-95f71980-17
0.598
ALP-POS-95f71980-25
0.596
ALP-POS-305f6ec3-48
0.596
ALP-POS-95f71980-38
0.591
ALP-POS-95f71980-23
0.590
LON-WEI-2e27a2e5-2
0.590
ALP-POS-95f71980-33
0.589
ALP-POS-ced8ea4d-49
0.589
ALP-POS-ced8ea4d-39
0.589
ALP-POS-305f6ec3-50
0.589
ALP-POS-02c6a514-26
0.588
ALP-POS-305f6ec3-27
0.587
ALP-POS-95f71980-14
0.585
ALP-POS-305f6ec3-38
0.585
ALP-POS-02c6a514-11
0.584
ALP-POS-ced8ea4d-63
0.583
ALP-POS-ced8ea4d-32
0.583
ALP-POS-95f71980-15
0.583
ALP-POS-95f71980-7
0.581
ALP-POS-95f71980-24
0.581
ALP-POS-305f6ec3-14
0.581
MAT-POS-f2460aef-5
0.581
PET-UNK-48ab5cd7-1
0.581
ALP-POS-305f6ec3-33
0.579
ALP-POS-95f71980-31
0.578
ALP-POS-305f6ec3-49
0.577
ALP-POS-d0876c20-22
0.575
ALP-POS-95f71980-16
0.574
ALP-POS-305f6ec3-19
0.574
ALP-POS-305f6ec3-54
0.574
LON-WEI-2e27a2e5-1
0.573
ALP-POS-95f71980-21
0.573
MAT-POS-f2460aef-1
0.573