Molecular Properties | |
SMILES: | COc1ncncc1C(C(=O)NCCc1cccc(F)c1)N(C(=O)c1cocn1)c1ccc(C(C)(C)C)cc1 |
MW: | 531.23 |
Fraction sp3: | 0.28 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 9 |
TPSA: | 110.45 |
cLogP: | 4.66 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 8.43107840746624 |
Order Status | |
Shipped: | synthesis in progress |
Long aliphatic chain
ALP-POS-d0876c20-16
0.721
ALP-POS-d0876c20-1
0.714
ALP-POS-d0876c20-17
0.713
ALP-POS-d0876c20-11
0.682
ALP-POS-d0876c20-21
0.676
ALP-POS-d0876c20-15
0.676
ALP-POS-d0876c20-18
0.676
ALP-POS-d0876c20-14
0.667
ALP-POS-d0876c20-7
0.661
ALP-POS-02c6a514-50
0.660
ALP-POS-d0876c20-5
0.657
ALP-POS-d0876c20-9
0.655
ALP-POS-d0876c20-10
0.654
ALP-POS-d0876c20-20
0.649
ALP-POS-d9b6304e-1
0.626
ALP-POS-a2344586-2
0.626
ALP-POS-d0876c20-4
0.624
ALP-POS-d0876c20-3
0.607
ALP-UNI-fe744232-18
0.604
ALP-POS-d0876c20-8
0.603
ALP-POS-d0876c20-12
0.600
ALP-POS-d0876c20-13
0.600
ALP-POS-d0876c20-24
0.600
ALP-POS-d0876c20-2
0.596
ALF-EVA-719172df-7
0.595
ALP-POS-d0876c20-23
0.576
ALF-EVA-719172df-2
0.575
ALP-POS-ced8ea4d-19
0.575
ALP-POS-95f71980-36
0.574
ALP-POS-ced8ea4d-52
0.565
ALP-POS-ced8ea4d-27
0.562
ALP-POS-ced8ea4d-67
0.557
ALP-UNI-fe744232-30
0.551
ALP-POS-95f71980-37
0.542
ALP-POS-d0876c20-6
0.540
ALP-POS-ced8ea4d-9
0.539
ALP-POS-02c6a514-13
0.538
ALF-EVA-719172df-4
0.534
ALP-POS-ced8ea4d-12
0.534
ALP-POS-ced8ea4d-51
0.534
ALP-UNI-fe744232-9
0.534
ALP-POS-ced8ea4d-16
0.533
ALP-POS-ced8ea4d-28
0.531
ALP-UNI-fe744232-3
0.530
ALP-POS-ced8ea4d-11
0.525
ALP-UNI-fe744232-14
0.525
ALP-POS-ced8ea4d-5
0.525
ALP-POS-ced8ea4d-49
0.525
ALP-UNI-fe744232-15
0.525
ALP-UNI-fe744232-22
0.525
ALF-EVA-719172df-1
0.521
ALP-UNI-fe744232-17
0.521
ALP-POS-d0876c20-22
0.519
MAT-POS-f2460aef-3
0.517
PAU-WEI-df8f33bc-2
0.517
ALP-POS-02c6a514-44
0.517
ALF-EVA-719172df-3
0.517
ALP-POS-ced8ea4d-37
0.517
ALP-POS-95f71980-5
0.517
ALP-UNI-fe744232-12
0.517
ALP-POS-ced8ea4d-62
0.517
ALF-EVA-719172df-5
0.513
ALP-POS-ced8ea4d-39
0.513
ALP-POS-95f71980-12
0.512
ALP-UNI-fe744232-11
0.512
ALP-POS-ced8ea4d-50
0.512
ALF-EVA-46063d6e-2
0.509
ALP-POS-95f71980-14
0.508
ALP-UNI-fe744232-1
0.508
ALP-POS-95f71980-3
0.508
ALP-UNI-fe744232-19
0.508
ALP-POS-ced8ea4d-17
0.508
MIC-UNK-7c90192e-1
0.508
ALP-POS-95f71980-38
0.508
ALP-POS-95f71980-25
0.504
ALP-POS-95f71980-31
0.504
MIC-UNK-7c90192e-2
0.504
ALP-POS-95f71980-10
0.504
ALP-POS-95f71980-4
0.500
ALP-POS-95f71980-34
0.500
ALP-POS-ced8ea4d-32
0.500
ALP-POS-95f71980-35
0.500
ALP-POS-a2344586-3
0.500
ALP-POS-95f71980-23
0.500
ALP-POS-95f71980-8
0.496
ALP-POS-ced8ea4d-44
0.496
CHE-UNK-ae827f53-1
0.496
ALP-POS-305f6ec3-12
0.496
ALP-POS-95f71980-20
0.496
PET-UNK-48ab5cd7-3
0.496
ALP-POS-305f6ec3-46
0.496
PET-UNK-48ab5cd7-2
0.496
DAR-DIA-48c639f7-9
0.496
ALP-UNI-fe744232-25
0.492
ALP-POS-95f71980-33
0.492
ALP-POS-305f6ec3-57
0.492
ALP-POS-305f6ec3-14
0.492
MAT-POS-f2460aef-5
0.492
ALP-POS-02c6a514-25
0.492
ALP-POS-305f6ec3-48
0.492