Molecular Properties | |
SMILES: | O=C(NCCc1cccc(F)c1)C(c1cccnc1)N(C(=O)c1cnc[nH]1)c1ccc(OC2CCOC2)cc1 |
MW: | 529.21 |
Fraction sp3: | 0.24 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 10 |
TPSA: | 109.44 |
cLogP: | 3.86 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 25.8154409880476 |
Order Status | |
Shipped: | synthesis in progress |
Long aliphatic chain
BRU-THA-92256091-84
0.768
ALP-POS-e980f4ea-19
0.740
ALP-POS-e980f4ea-62
0.738
ALP-POS-ced8ea4d-32
0.737
ALP-POS-e980f4ea-67
0.726
ALP-POS-e980f4ea-51
0.720
ALP-POS-e980f4ea-12
0.720
ALP-POS-e980f4ea-27
0.695
ALP-POS-e980f4ea-52
0.679
ALP-POS-e980f4ea-28
0.676
ALP-POS-e980f4ea-9
0.676
ALP-POS-e980f4ea-17
0.675
ALP-POS-e980f4ea-49
0.658
ALP-POS-e980f4ea-5
0.658
ALP-POS-e980f4ea-11
0.658
ALP-POS-e980f4ea-63
0.646
ALP-POS-e980f4ea-59
0.643
ALP-POS-e980f4ea-39
0.643
ALP-POS-e980f4ea-37
0.634
ALP-POS-e980f4ea-16
0.629
ALP-POS-e980f4ea-53
0.627
ALP-POS-e980f4ea-47
0.622
ALP-POS-e980f4ea-66
0.609
ALP-POS-e980f4ea-44
0.607
ALP-POS-e980f4ea-65
0.600
ALP-POS-e980f4ea-24
0.592
ALP-POS-e980f4ea-21
0.592
ALP-POS-e980f4ea-10
0.592
ALP-POS-e980f4ea-18
0.592
ALP-POS-e980f4ea-38
0.588
ALP-POS-e980f4ea-36
0.587
ALP-POS-e980f4ea-14
0.585
ALP-POS-e980f4ea-50
0.582
ALP-POS-e980f4ea-15
0.582
ALP-POS-e980f4ea-8
0.579
ALP-POS-e980f4ea-20
0.579
ALP-POS-e980f4ea-25
0.573
ALP-POS-e980f4ea-34
0.567
ALP-POS-e980f4ea-55
0.566
ALP-POS-e980f4ea-1
0.563
ALP-POS-e980f4ea-56
0.562
ALP-POS-02c6a514-37
0.557
ALP-POS-b0bc6a46-22
0.557
BRU-THA-92256091-80
0.554
ALP-POS-305f6ec3-59
0.552
BRU-THA-92256091-19
0.551
ALP-POS-e980f4ea-13
0.547
ALP-POS-e980f4ea-22
0.547
PET-UNK-48ab5cd7-2
0.547
BRU-THA-92256091-18
0.546
ALP-POS-e980f4ea-30
0.546
ALP-POS-e980f4ea-2
0.542
ALP-POS-780445ae-10
0.542
ALP-POS-e980f4ea-45
0.541
ALP-POS-e980f4ea-7
0.540
ALP-POS-e980f4ea-64
0.539
ALP-POS-02c6a514-52
0.538
BRU-THA-92256091-17
0.537
BRU-THA-92256091-16
0.537
ALP-POS-e980f4ea-43
0.537
ALP-POS-e980f4ea-6
0.537
ALP-POS-305f6ec3-52
0.533
ALP-POS-ced8ea4d-19
0.533
ALP-POS-305f6ec3-39
0.533
ALP-POS-e980f4ea-42
0.532
ALP-POS-e980f4ea-61
0.532
ALP-POS-e980f4ea-57
0.532
BRU-THA-92256091-91
0.531
ALF-EVA-719172df-6
0.530
ALP-POS-e980f4ea-54
0.530
ALP-POS-ced8ea4d-67
0.529
WIL-UNI-354943b6-14
0.528
ALP-POS-ced8ea4d-62
0.528
ALP-POS-305f6ec3-29
0.527
ALP-POS-b0bc6a46-23
0.526
ALP-POS-02c6a514-38
0.526
ALP-POS-02c6a514-5
0.525
ALP-POS-b0bc6a46-5
0.525
ALP-POS-02c6a514-17
0.525
ALP-POS-e980f4ea-35
0.524
ALP-POS-ced8ea4d-51
0.520
ALP-POS-ced8ea4d-12
0.520
ALP-POS-e980f4ea-33
0.520
ALP-POS-e980f4ea-3
0.520
ALP-POS-e980f4ea-60
0.520
ALP-POS-e980f4ea-41
0.517
ALP-POS-e980f4ea-58
0.516
WIL-UNI-354943b6-12
0.516
BRU-THA-92256091-93
0.516
ALP-POS-1245c3fa-1
0.513
BRU-THA-92256091-24
0.513
PET-UNK-48ab5cd7-5
0.512
ALP-POS-02c6a514-51
0.512
ALP-UNI-fe744232-30
0.512
WIL-UNI-354943b6-4
0.512
LON-WEI-2e27a2e5-2
0.509
MAT-POS-f2460aef-2
0.508
MAT-POS-f2460aef-1
0.508
ALP-POS-95f71980-21
0.508
LON-WEI-2e27a2e5-1
0.508