Molecular Properties | |
SMILES: | COc1ccccc1CN(C(=O)c1c[nH]cn1)C(C(=O)NCCc1cccc(F)c1)c1cccnc1 |
MW: | 487.2 |
Fraction sp3: | 0.19 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 10 |
TPSA: | 100.21 |
cLogP: | 3.7 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 99.0 |
Order Status | |
Shipped: | synthesis in progress |
Long aliphatic chain
MAT-POS-f2460aef-1
BRU-THA-92256091-43
0.788
ALP-POS-ced8ea4d-40
0.777
BRU-THA-92256091-27
0.770
BRU-THA-92256091-11
0.750
ALP-POS-e980f4ea-40
0.748
BRU-THA-92256091-7
0.745
BRU-THA-92256091-41
0.736
BRU-THA-92256091-87
0.694
ALP-POS-ced8ea4d-48
0.612
BRU-THA-92256091-6
0.606
BRU-THA-92256091-19
0.600
BRU-THA-92256091-8
0.598
ALP-POS-ced8ea4d-41
0.589
BRU-THA-92256091-26
0.588
ALP-POS-e980f4ea-48
0.586
BRU-THA-92256091-23
0.575
ALP-POS-ced8ea4d-7
0.574
WIL-UNI-354943b6-14
0.574
BRU-THA-92256091-24
0.573
ALP-POS-ced8ea4d-64
0.573
ALP-POS-1245c3fa-1
0.573
BRU-THA-92256091-15
0.571
ALP-POS-ced8ea4d-46
0.568
BRU-THA-92256091-22
0.568
BRU-THA-92256091-44
0.567
BRU-THA-92256091-18
0.566
WIL-UNI-354943b6-2
0.566
ALP-POS-e980f4ea-41
0.562
MAT-POS-f2460aef-3
0.562
BRU-THA-92256091-30
0.561
BRU-THA-92256091-31
0.561
BRU-THA-92256091-3
0.560
BRU-THA-92256091-5
0.560
ALP-POS-1245c3fa-2
0.558
BRU-THA-92256091-17
0.557
BRU-THA-92256091-16
0.557
WIL-UNI-354943b6-3
0.557
BRU-THA-92256091-32
0.553
BRU-THA-92256091-9
0.553
BRU-THA-92256091-13
0.553
BRU-THA-92256091-2
0.553
WIL-UNI-354943b6-10
0.553
WIL-UNI-354943b6-5
0.552
BRU-THA-92256091-35
0.551
BRU-THA-92256091-42
0.551
BRU-THA-92256091-12
0.551
BRU-THA-92256091-39
0.547
BRU-THA-92256091-25
0.547
BRU-THA-92256091-80
0.547
WIL-UNI-354943b6-12
0.547
ALP-POS-e980f4ea-7
0.546
ALP-POS-e980f4ea-64
0.545
BRU-THA-92256091-14
0.543
BRU-THA-92256091-20
0.543
WIL-UNI-354943b6-7
0.543
ALP-POS-e980f4ea-46
0.542
BRU-THA-92256091-81
0.542
BRU-THA-92256091-37
0.542
BRU-THA-92256091-82
0.542
BRU-THA-92256091-21
0.538
BRU-THA-92256091-75
0.538
BRU-THA-92256091-1
0.538
BRU-THA-92256091-38
0.538
BRU-THA-92256091-62
0.538
BRU-THA-92256091-46
0.537
BRU-THA-92256091-45
0.537
BRU-THA-92256091-88
0.537
BRU-THA-92256091-4
0.537
BRU-THA-92256091-10
0.534
BRU-THA-92256091-69
0.534
WIL-UNI-354943b6-8
0.534
BRU-THA-92256091-85
0.534
BRU-THA-92256091-49
0.533
BRU-THA-92256091-36
0.533
BRU-THA-92256091-57
0.533
BRU-THA-92256091-72
0.533
BRU-THA-92256091-79
0.533
BRU-THA-92256091-74
0.533
BRU-THA-92256091-70
0.533
BRU-THA-92256091-34
0.529
BRU-THA-92256091-33
0.529
WIL-UNI-354943b6-9
0.529
WIL-UNI-354943b6-13
0.529
BRU-THA-92256091-51
0.529
ALP-POS-02c6a514-2
0.527
ALP-POS-b0bc6a46-2
0.527
BRU-THA-92256091-71
0.525
WIL-UNI-354943b6-1
0.525
BRU-THA-92256091-52
0.525
BRU-THA-92256091-53
0.525
BRU-THA-92256091-86
0.521
BRU-THA-92256091-29
0.521
BRU-THA-92256091-59
0.521
BRU-THA-92256091-61
0.521
BRU-THA-92256091-50
0.521
BRU-THA-92256091-54
0.520
BRU-THA-92256091-67
0.520
BRU-THA-92256091-93
0.520
WIL-UNI-354943b6-6
0.520
ALP-POS-02c6a514-16
0.517