Molecular Properties | |
SMILES: | O=C(NCCc1cccc(F)c1)C(c1cccnc1)N(C(=O)c1cocn1)c1ccc(N2CCCC2=O)cc1 |
MW: | 527.2 |
Fraction sp3: | 0.21 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 9 |
TPSA: | 108.64 |
cLogP: | 4.08 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 76.6101308203457 |
Order Status | |
Shipped: | synthesis in progress |
Long aliphatic chain
ALP-POS-95f71980-15
0.798
ALP-UNI-fe744232-14
0.752
ALP-POS-02c6a514-50
0.748
ALP-UNI-fe744232-1
0.741
ALP-POS-95f71980-28
0.739
ALP-POS-ced8ea4d-27
0.738
ALP-UNI-fe744232-18
0.733
ALP-UNI-fe744232-3
0.726
ALP-POS-95f71980-3
0.725
ALP-POS-ced8ea4d-9
0.724
ALP-POS-ced8ea4d-11
0.720
ALP-POS-ced8ea4d-28
0.718
ALP-POS-ced8ea4d-19
0.717
ALP-POS-95f71980-36
0.713
ALP-UNI-fe744232-9
0.713
ALP-POS-ced8ea4d-67
0.710
ALP-POS-ced8ea4d-16
0.709
ALP-POS-95f71980-35
0.708
ALP-POS-ced8ea4d-62
0.706
ALP-POS-ced8ea4d-52
0.704
ALP-POS-ced8ea4d-5
0.704
ALP-UNI-fe744232-22
0.700
ALP-UNI-fe744232-15
0.700
ALP-POS-95f71980-33
0.699
ALP-POS-95f71980-38
0.698
ALP-POS-ced8ea4d-51
0.697
ALP-POS-ced8ea4d-12
0.697
ALP-UNI-fe744232-17
0.694
ALP-POS-95f71980-34
0.693
ALP-UNI-fe744232-12
0.691
ALP-UNI-fe744232-19
0.690
ALP-POS-ced8ea4d-17
0.690
ALP-UNI-fe744232-30
0.685
ALP-POS-ced8ea4d-63
0.682
ALP-UNI-fe744232-11
0.681
ALP-POS-ced8ea4d-37
0.679
ALP-POS-95f71980-27
0.678
ALP-POS-ced8ea4d-47
0.678
ALP-UNI-fe744232-25
0.670
ALP-UNI-fe744232-13
0.664
ALP-POS-ced8ea4d-53
0.661
ALP-POS-ced8ea4d-49
0.658
ALP-POS-ced8ea4d-39
0.658
ALP-POS-ced8ea4d-1
0.655
ALP-POS-ced8ea4d-10
0.652
ALP-POS-ced8ea4d-32
0.647
ALP-POS-95f71980-37
0.646
ALP-POS-ced8ea4d-25
0.642
ALP-POS-ced8ea4d-8
0.641
ALP-POS-ced8ea4d-44
0.635
ALP-POS-ced8ea4d-30
0.634
ALP-POS-d0876c20-5
0.633
ALP-POS-ced8ea4d-24
0.632
ALP-POS-ced8ea4d-38
0.632
ALP-POS-ced8ea4d-20
0.632
ALP-POS-ced8ea4d-59
0.629
ALP-POS-95f71980-14
0.625
ALP-POS-95f71980-9
0.622
ALP-POS-95f71980-26
0.619
ALP-POS-ced8ea4d-65
0.617
ALP-POS-95f71980-13
0.614
ALP-POS-95f71980-16
0.614
ALP-POS-ced8ea4d-21
0.613
ALP-POS-ced8ea4d-36
0.613
ALP-POS-ced8ea4d-18
0.612
ALP-POS-d0876c20-17
0.609
ALP-POS-95f71980-1
0.609
ALP-POS-95f71980-20
0.609
ALP-POS-ced8ea4d-50
0.608
ALP-POS-95f71980-32
0.607
ALP-POS-95f71980-5
0.603
ALP-POS-95f71980-39
0.603
ALP-POS-95f71980-31
0.603
ALP-POS-95f71980-12
0.598
ALP-POS-305f6ec3-12
0.595
ALP-POS-95f71980-41
0.593
ALP-POS-95f71980-8
0.592
ALP-POS-ced8ea4d-15
0.590
ALP-POS-95f71980-4
0.589
ALP-POS-ced8ea4d-64
0.589
ALP-POS-95f71980-40
0.588
WIL-UNI-354943b6-7
0.586
ALP-POS-ced8ea4d-34
0.583
ALP-POS-95f71980-17
0.580
WIL-UNI-354943b6-1
0.580
ALP-POS-ced8ea4d-45
0.580
ALP-POS-305f6ec3-48
0.579
MAT-POS-f2460aef-3
0.579
ALP-POS-ced8ea4d-13
0.578
ALP-POS-ced8ea4d-22
0.578
ALP-POS-ced8ea4d-7
0.577
BRU-THA-92256091-85
0.576
ALP-POS-305f6ec3-50
0.573
ALP-POS-305f6ec3-46
0.570
PET-UNK-48ab5cd7-3
0.570
ALP-POS-d0876c20-14
0.570
WIL-UNI-354943b6-10
0.569
ALP-POS-d0876c20-13
0.567
ALP-POS-ced8ea4d-35
0.566
ALP-POS-d0876c20-21
0.565