Molecular Properties | |
SMILES: | O=C(NCCc1cccc(F)c1)C(c1cccnc1)N(C(=O)c1cnc[nH]1)c1cnc(C2CCC2)nc1 |
MW: | 499.21 |
Fraction sp3: | 0.26 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 9 |
TPSA: | 116.76 |
cLogP: | 3.75 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 99.0 |
Order Status | |
Shipped: | synthesis in progress |
Long aliphatic chain
BRU-THA-92256091-75
0.770
ALP-POS-ced8ea4d-63
0.718
ALP-POS-e980f4ea-28
0.711
ALP-POS-e980f4ea-62
0.709
ALP-POS-e980f4ea-27
0.697
ALP-POS-e980f4ea-67
0.680
ALP-POS-e980f4ea-37
0.680
ALP-POS-e980f4ea-9
0.676
ALP-POS-e980f4ea-19
0.676
ALP-POS-e980f4ea-17
0.676
ALP-POS-e980f4ea-49
0.673
ALP-POS-e980f4ea-39
0.673
ALP-POS-e980f4ea-59
0.673
ALP-POS-e980f4ea-52
0.663
ALP-POS-e980f4ea-5
0.657
ALP-POS-e980f4ea-51
0.657
ALP-POS-e980f4ea-12
0.657
ALP-POS-e980f4ea-11
0.657
ALP-POS-e980f4ea-25
0.652
ALP-POS-e980f4ea-32
0.646
ALP-POS-e980f4ea-44
0.633
ALP-POS-e980f4ea-24
0.631
ALP-POS-e980f4ea-10
0.631
ALP-POS-e980f4ea-13
0.629
ALP-POS-e980f4ea-22
0.629
ALP-POS-e980f4ea-38
0.627
ALP-POS-e980f4ea-16
0.627
ALP-POS-e980f4ea-53
0.625
ALP-POS-e980f4ea-65
0.625
ALP-POS-e980f4ea-36
0.625
ALP-POS-e980f4ea-47
0.619
ALP-POS-e980f4ea-21
0.616
ALP-POS-e980f4ea-8
0.616
ALP-POS-e980f4ea-20
0.616
ALP-POS-e980f4ea-18
0.616
ALP-POS-e980f4ea-14
0.609
ALP-POS-e980f4ea-2
0.606
ALP-POS-e980f4ea-50
0.605
ALP-POS-e980f4ea-15
0.605
ALP-POS-e980f4ea-45
0.604
ALP-POS-e980f4ea-1
0.598
ALP-POS-e980f4ea-61
0.593
ALP-POS-e980f4ea-7
0.592
ALP-POS-e980f4ea-34
0.589
ALP-POS-e980f4ea-35
0.583
ALP-POS-e980f4ea-54
0.579
ALP-POS-e980f4ea-30
0.579
ALP-POS-e980f4ea-66
0.577
ALP-POS-e980f4ea-64
0.575
ALP-POS-e980f4ea-3
0.565
BRU-THA-92256091-80
0.561
ALP-POS-e980f4ea-6
0.557
ALP-POS-e980f4ea-56
0.557
ALP-POS-e980f4ea-43
0.557
BRU-THA-92256091-8
0.556
ALP-POS-e980f4ea-23
0.552
ALP-POS-e980f4ea-33
0.552
ALP-POS-e980f4ea-42
0.552
ALP-POS-e980f4ea-41
0.550
ALP-POS-e980f4ea-58
0.549
ALP-POS-e980f4ea-29
0.548
ALP-POS-1245c3fa-1
0.545
ALP-POS-305f6ec3-59
0.545
BRU-THA-92256091-24
0.545
ALP-POS-b0bc6a46-5
0.544
ALP-POS-02c6a514-5
0.544
PET-UNK-48ab5cd7-2
0.541
BRU-THA-92256091-22
0.541
BRU-THA-92256091-9
0.540
BRU-THA-92256091-13
0.540
ALP-POS-e980f4ea-60
0.538
BRU-THA-92256091-83
0.538
ALP-POS-e980f4ea-57
0.538
BRU-THA-92256091-76
0.537
MAT-POS-f2460aef-3
0.536
ALP-POS-e980f4ea-55
0.534
BRU-THA-92256091-79
0.534
ALP-POS-e980f4ea-31
0.533
ALP-POS-02c6a514-52
0.532
BRU-THA-92256091-19
0.531
ALP-POS-1245c3fa-2
0.531
BRU-THA-92256091-15
0.531
WIL-UNI-354943b6-7
0.530
ALP-POS-305f6ec3-52
0.526
BRU-THA-92256091-32
0.526
WIL-UNI-354943b6-2
0.526
WIL-UNI-354943b6-10
0.526
BRU-THA-92256091-18
0.526
ALP-POS-e980f4ea-40
0.526
ALP-POS-e980f4ea-4
0.525
ALP-POS-02c6a514-46
0.522
BRU-THA-92256091-30
0.522
BRU-THA-92256091-23
0.522
BRU-THA-92256091-31
0.522
ALP-POS-305f6ec3-33
0.522
BRU-THA-92256091-85
0.521
WIL-UNI-354943b6-12
0.521
ALP-POS-ced8ea4d-62
0.521
BRU-THA-92256091-10
0.521
WIL-UNI-354943b6-6
0.521