Molecular Properties | |
SMILES: | Cc1ccccc1C(C)N(C(=O)c1cocn1)C(C(=O)NCCc1cccc(F)c1)c1cccnc1 |
MW: | 486.21 |
Fraction sp3: | 0.21 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 9 |
TPSA: | 88.33 |
cLogP: | 4.82 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 99.5 |
Order Status | |
Shipped: | synthesis in progress |
Long aliphatic chain
BRU-THA-92256091-26
0.775
ALP-POS-ced8ea4d-54
0.760
ALP-POS-e980f4ea-58
0.712
ALP-POS-ced8ea4d-41
0.664
ALP-POS-ced8ea4d-28
0.623
ALP-POS-ced8ea4d-7
0.619
ALP-POS-ced8ea4d-64
0.617
ALP-POS-ced8ea4d-27
0.611
ALP-UNI-fe744232-18
0.595
ALP-POS-ced8ea4d-40
0.591
ALP-POS-02c6a514-50
0.591
ALP-POS-ced8ea4d-67
0.589
ALP-UNI-fe744232-3
0.589
ALP-POS-ced8ea4d-9
0.586
ALP-POS-ced8ea4d-49
0.584
ALP-POS-ced8ea4d-52
0.584
ALP-POS-ced8ea4d-5
0.584
ALP-POS-ced8ea4d-46
0.581
ALP-POS-ced8ea4d-19
0.580
ALP-POS-ced8ea4d-12
0.579
ALP-POS-ced8ea4d-63
0.579
ALP-POS-ced8ea4d-44
0.578
BRU-THA-92256091-6
0.577
ALP-POS-95f71980-9
0.577
ALP-POS-ced8ea4d-13
0.575
ALP-POS-ced8ea4d-22
0.575
ALP-POS-ced8ea4d-37
0.575
ALP-POS-ced8ea4d-2
0.574
ALP-POS-ced8ea4d-62
0.574
ALP-POS-95f71980-39
0.574
ALP-POS-95f71980-37
0.574
ALP-POS-95f71980-31
0.574
ALP-POS-ced8ea4d-29
0.573
ALP-POS-ced8ea4d-59
0.573
ALP-POS-ced8ea4d-11
0.570
ALP-POS-ced8ea4d-39
0.570
ALP-POS-95f71980-16
0.570
ALP-POS-95f71980-13
0.570
ALP-UNI-fe744232-14
0.570
ALP-UNI-fe744232-22
0.569
ALP-POS-ced8ea4d-23
0.567
ALP-POS-95f71980-14
0.566
ALP-POS-ced8ea4d-66
0.565
ALP-POS-ced8ea4d-51
0.565
ALP-POS-95f71980-36
0.565
ALP-UNI-fe744232-9
0.565
ALP-POS-95f71980-3
0.564
ALP-POS-ced8ea4d-35
0.563
ALP-POS-ced8ea4d-17
0.563
ALP-POS-95f71980-8
0.563
ALP-POS-95f71980-26
0.563
ALP-UNI-fe744232-12
0.560
ALP-POS-ced8ea4d-56
0.559
ALP-POS-ced8ea4d-61
0.558
ALP-POS-ced8ea4d-42
0.558
ALP-UNI-fe744232-25
0.558
ALP-POS-ced8ea4d-14
0.556
ALP-UNI-fe744232-15
0.556
ALP-UNI-fe744232-30
0.556
ALP-POS-95f71980-32
0.553
ALP-POS-95f71980-1
0.552
ALP-POS-95f71980-20
0.552
ALP-POS-ced8ea4d-45
0.551
ALP-POS-ced8ea4d-16
0.551
ALP-UNI-fe744232-1
0.551
ALP-UNI-fe744232-17
0.551
ALP-POS-ced8ea4d-6
0.550
ALP-UNI-fe744232-19
0.550
ALP-POS-ced8ea4d-15
0.549
ALP-POS-95f71980-5
0.547
ALP-POS-95f71980-40
0.546
ALP-POS-ced8ea4d-21
0.545
ALP-POS-ced8ea4d-55
0.545
ALP-POS-ced8ea4d-48
0.545
ALP-POS-95f71980-33
0.545
ALP-POS-95f71980-12
0.542
ALP-POS-ced8ea4d-10
0.542
ALP-POS-ced8ea4d-33
0.542
ALP-POS-ced8ea4d-34
0.542
ALP-POS-ced8ea4d-43
0.542
ALP-UNI-fe744232-11
0.542
ALP-POS-ced8ea4d-3
0.541
ALP-POS-95f71980-34
0.541
ALP-POS-95f71980-35
0.541
ALP-POS-95f71980-27
0.541
ALP-UNI-fe744232-13
0.541
ALP-POS-ced8ea4d-4
0.540
ALP-POS-95f71980-41
0.538
ALP-POS-ced8ea4d-20
0.537
ALP-POS-ced8ea4d-24
0.537
ALP-POS-ced8ea4d-38
0.537
ALP-POS-ced8ea4d-53
0.537
ALP-POS-ced8ea4d-65
0.537
ALP-POS-ced8ea4d-31
0.537
ALP-POS-ced8ea4d-60
0.537
ALP-POS-95f71980-38
0.536
ALP-POS-e980f4ea-54
0.536
ALP-POS-ced8ea4d-36
0.533
ALP-POS-ced8ea4d-8
0.533
ALP-POS-95f71980-10
0.533