Molecular Properties | |
SMILES: | CC(C)(C)c1ccc(N(C(=O)c2cocn2)C(C(=O)NCCc2cccc(F)c2)c2cncnc2)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: | 2.92175055279495 |
Order Status | |
Shipped: | synthesis in progress |
Long aliphatic chain
ALP-POS-02c6a514-50
0.813
ALP-POS-d0876c20-14
0.802
ALP-POS-d0876c20-5
0.791
ALP-POS-d0876c20-21
0.737
ALP-POS-d0876c20-24
0.730
ALP-POS-d0876c20-12
0.730
ALP-POS-d0876c20-3
0.724
ALP-UNI-fe744232-18
0.722
ALP-POS-d0876c20-13
0.713
ALP-POS-d0876c20-19
0.713
ALP-POS-d0876c20-10
0.711
ALP-POS-d0876c20-1
0.707
ALP-POS-95f71980-36
0.700
ALP-POS-d0876c20-16
0.697
ALP-POS-d0876c20-4
0.689
ALP-POS-d0876c20-7
0.683
ALP-POS-d0876c20-18
0.683
ALP-POS-d0876c20-9
0.676
ALP-POS-d0876c20-2
0.676
ALP-POS-ced8ea4d-27
0.673
ALP-POS-d0876c20-11
0.673
ALP-POS-d0876c20-20
0.670
ALP-POS-d0876c20-15
0.667
ALP-POS-ced8ea4d-9
0.660
ALP-POS-ced8ea4d-19
0.653
ALP-POS-ced8ea4d-28
0.653
ALP-POS-d0876c20-23
0.651
ALP-UNI-fe744232-9
0.650
ALP-POS-ced8ea4d-16
0.648
ALP-UNI-fe744232-3
0.647
ALP-POS-ced8ea4d-67
0.647
ALP-POS-a2344586-2
0.645
ALP-POS-d9b6304e-1
0.645
ALP-POS-ced8ea4d-62
0.644
ALP-UNI-fe744232-14
0.641
ALP-POS-ced8ea4d-52
0.641
ALP-POS-ced8ea4d-5
0.641
ALP-POS-ced8ea4d-11
0.641
ALP-UNI-fe744232-15
0.638
ALP-POS-ced8ea4d-12
0.635
ALP-POS-ced8ea4d-51
0.635
MAT-POS-f2460aef-3
0.634
ALP-UNI-fe744232-17
0.632
ALP-POS-ced8ea4d-37
0.631
ALP-UNI-fe744232-12
0.629
ALP-POS-95f71980-37
0.629
ALP-UNI-fe744232-30
0.623
ALP-UNI-fe744232-22
0.623
ALP-POS-d0876c20-6
0.619
ALP-POS-95f71980-27
0.618
ALP-POS-95f71980-35
0.618
ALP-UNI-fe744232-1
0.617
ALP-POS-95f71980-3
0.617
ALP-UNI-fe744232-19
0.615
ALP-POS-ced8ea4d-17
0.615
ALP-POS-95f71980-4
0.614
ALP-POS-95f71980-10
0.609
ALP-UNI-fe744232-25
0.609
ALP-POS-305f6ec3-46
0.608
PET-UNK-48ab5cd7-3
0.608
ALP-UNI-fe744232-11
0.606
ALP-POS-d0876c20-8
0.605
ALP-POS-95f71980-17
0.604
ALP-POS-305f6ec3-12
0.604
ALP-POS-95f71980-34
0.604
MAT-POS-f2460aef-5
0.602
ALP-POS-305f6ec3-48
0.602
PET-UNK-48ab5cd7-1
0.602
ALP-POS-305f6ec3-14
0.602
ALP-POS-95f71980-25
0.602
ALP-POS-305f6ec3-33
0.600
ALP-POS-95f71980-38
0.596
ALP-POS-95f71980-23
0.596
LON-WEI-2e27a2e5-2
0.596
ALP-POS-95f71980-33
0.595
ALP-POS-305f6ec3-50
0.594
ALP-POS-ced8ea4d-49
0.594
ALP-POS-ced8ea4d-39
0.594
ALP-POS-95f71980-12
0.593
ALP-POS-95f71980-11
0.591
ALP-POS-305f6ec3-38
0.590
ALP-POS-95f71980-14
0.590
ALP-POS-02c6a514-11
0.590
ALP-UNI-fe744232-13
0.589
ALP-POS-95f71980-28
0.589
ALP-POS-ced8ea4d-63
0.589
ALP-POS-95f71980-7
0.587
ALP-POS-95f71980-24
0.587
ALP-POS-02c6a514-46
0.587
ALP-POS-305f6ec3-57
0.585
ALP-POS-305f6ec3-28
0.585
ALP-POS-95f71980-31
0.583
ALP-POS-02c6a514-12
0.583
ALP-POS-305f6ec3-49
0.583
ALP-POS-305f6ec3-2
0.581
ALP-POS-305f6ec3-54
0.579
ALP-POS-95f71980-16
0.579
ALP-POS-02c6a514-26
0.578
MAT-POS-f2460aef-1
0.578
ALP-POS-95f71980-21
0.578