Molecular Properties | |
SMILES: | CC(C)(C)c1cc(N(C(=O)c2cocn2)C(C(=O)NCCc2cccc(F)c2)c2cccnc2)no1 |
MW: | 491.2 |
Fraction sp3: | 0.27 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 8 |
TPSA: | 114.36 |
cLogP: | 4.24 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 51.2490629731775 |
Order Status | |
Shipped: | synthesis in progress |
Long aliphatic chain
ALP-POS-95f71980-14
0.758
ALP-POS-95f71980-20
0.752
ALP-POS-95f71980-12
0.738
ALP-POS-95f71980-9
0.737
ALP-POS-95f71980-41
0.731
ALP-POS-95f71980-31
0.728
ALP-POS-95f71980-39
0.728
ALP-POS-02c6a514-50
0.720
ALP-POS-95f71980-1
0.718
LON-WEI-babf2c61-10
0.707
ALP-POS-ced8ea4d-27
0.693
ALP-POS-ced8ea4d-28
0.690
ALP-UNI-fe744232-18
0.689
ALP-POS-95f71980-5
0.679
ALP-POS-95f71980-8
0.679
ALP-POS-95f71980-36
0.670
ALP-POS-ced8ea4d-37
0.667
ALP-POS-ced8ea4d-35
0.664
ALP-POS-95f71980-37
0.664
ALP-POS-ced8ea4d-9
0.663
ALP-POS-ced8ea4d-19
0.657
ALP-POS-ced8ea4d-63
0.654
ALP-POS-ced8ea4d-16
0.651
ALP-POS-95f71980-3
0.651
ALP-UNI-fe744232-3
0.651
ALP-POS-ced8ea4d-67
0.651
ALP-POS-ced8ea4d-62
0.648
ALP-UNI-fe744232-14
0.645
ALP-POS-ced8ea4d-39
0.645
ALP-POS-95f71980-13
0.645
ALP-POS-ced8ea4d-11
0.645
ALP-POS-ced8ea4d-49
0.645
ALP-POS-ced8ea4d-5
0.645
ALP-POS-ced8ea4d-52
0.645
ALP-POS-ced8ea4d-51
0.639
ALP-UNI-fe744232-9
0.639
ALP-POS-ced8ea4d-12
0.639
ALP-UNI-fe744232-17
0.636
ALP-POS-ced8ea4d-44
0.636
ALP-UNI-fe744232-12
0.633
ALP-POS-95f71980-40
0.631
ALP-POS-ced8ea4d-36
0.628
ALP-UNI-fe744232-15
0.627
ALP-UNI-fe744232-30
0.627
ALP-UNI-fe744232-22
0.627
ALP-UNI-fe744232-1
0.622
ALP-POS-ced8ea4d-7
0.621
ALP-POS-ced8ea4d-17
0.619
ALP-POS-ced8ea4d-65
0.617
ALP-POS-ced8ea4d-59
0.616
ALP-POS-95f71980-10
0.614
ALP-POS-ced8ea4d-21
0.614
ALP-POS-95f71980-33
0.614
ALP-POS-ced8ea4d-18
0.612
ALP-POS-ced8ea4d-34
0.611
ALP-UNI-fe744232-11
0.611
ALP-POS-ced8ea4d-10
0.611
ALP-POS-ced8ea4d-50
0.609
ALP-POS-95f71980-35
0.609
ALP-POS-95f71980-32
0.607
ALP-POS-ced8ea4d-24
0.605
ALP-POS-ced8ea4d-38
0.605
ALP-POS-ced8ea4d-20
0.605
ALP-POS-95f71980-26
0.605
ALP-UNI-fe744232-19
0.605
ALP-POS-ced8ea4d-53
0.605
ALP-POS-ced8ea4d-64
0.604
ALP-POS-95f71980-38
0.602
ALP-UNI-fe744232-25
0.600
ALP-POS-ced8ea4d-8
0.600
ALP-POS-95f71980-30
0.598
ALP-UNI-fe744232-13
0.595
ALP-POS-ced8ea4d-47
0.595
ALP-POS-95f71980-27
0.595
ALP-POS-95f71980-28
0.595
ALP-POS-95f71980-34
0.595
ALP-POS-ced8ea4d-41
0.591
ALP-POS-ced8ea4d-15
0.590
ALP-POS-ced8ea4d-25
0.588
ALP-POS-ced8ea4d-54
0.587
ALP-POS-95f71980-15
0.580
ALP-POS-ced8ea4d-32
0.580
ALP-POS-d0876c20-17
0.579
ALP-POS-95f71980-25
0.578
PET-UNK-48ab5cd7-4
0.578
ALP-POS-ced8ea4d-22
0.577
ALP-POS-ced8ea4d-13
0.577
ALP-POS-ced8ea4d-1
0.575
ALP-POS-95f71980-4
0.574
ALP-POS-d0876c20-5
0.574
ALP-POS-ced8ea4d-58
0.570
ALP-POS-305f6ec3-44
0.569
ALP-POS-ced8ea4d-66
0.566
PAU-WEI-5b8d5051-1
0.566
LON-WEI-adc59df6-47
0.566
LON-POS-586a7c45-1
0.566
ALP-POS-95f71980-17
0.565
MAT-POS-f2460aef-3
0.564
ALP-POS-ced8ea4d-2
0.561
ALP-POS-ced8ea4d-56
0.560