Molecular Properties | |
SMILES: | COc1cc(N(C(=O)c2cnc[nH]2)C(C(=O)NCCc2cccc(F)c2)c2cccnc2)ccc1S(=O)(=O)N(C)C |
MW: | 580.19 |
Fraction sp3: | 0.21 |
HBA: | 7 |
HBD: | 2 |
Rotatable Bonds: | 11 |
TPSA: | 137.59 |
cLogP: | 2.95 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 99.0 |
Order Status | |
Shipped: | synthesis in progress |
Long aliphatic chain
Hetero_hetero
BRU-THA-92256091-44
0.761
ALP-POS-ced8ea4d-50
0.730
ALP-POS-e980f4ea-19
0.712
ALP-POS-e980f4ea-44
0.697
ALP-POS-e980f4ea-9
0.679
ALP-POS-e980f4ea-52
0.667
ALP-POS-e980f4ea-27
0.667
ALP-POS-e980f4ea-28
0.663
ALP-POS-e980f4ea-5
0.661
ALP-POS-e980f4ea-11
0.661
ALP-POS-e980f4ea-67
0.651
ALP-POS-e980f4ea-12
0.645
ALP-POS-e980f4ea-51
0.645
ALP-POS-e980f4ea-39
0.645
ALP-POS-e980f4ea-49
0.645
ALP-POS-e980f4ea-37
0.636
ALP-POS-e980f4ea-20
0.635
ALP-POS-e980f4ea-38
0.632
ALP-POS-e980f4ea-53
0.629
ALP-POS-e980f4ea-47
0.624
ALP-POS-e980f4ea-24
0.621
ALP-POS-e980f4ea-8
0.621
ALP-POS-e980f4ea-18
0.621
ALP-POS-e980f4ea-21
0.621
ALP-POS-e980f4ea-17
0.621
ALP-POS-e980f4ea-10
0.621
ALP-POS-e980f4ea-62
0.619
ALP-POS-e980f4ea-59
0.617
ALP-POS-e980f4ea-36
0.615
ALP-POS-e980f4ea-65
0.615
ALP-POS-e980f4ea-25
0.613
ALP-POS-e980f4ea-15
0.610
ALP-POS-e980f4ea-63
0.605
ALP-POS-e980f4ea-16
0.603
ALP-POS-e980f4ea-1
0.603
ALP-POS-e980f4ea-30
0.584
ALP-POS-e980f4ea-32
0.582
ALP-POS-e980f4ea-34
0.581
ALP-POS-e980f4ea-40
0.559
ALP-POS-e980f4ea-7
0.555
ALP-POS-e980f4ea-35
0.549
ALP-POS-e980f4ea-48
0.541
ALP-POS-e980f4ea-64
0.540
ALP-POS-305f6ec3-59
0.539
BRU-THA-92256091-19
0.538
PET-UNK-48ab5cd7-2
0.534
ALP-POS-b0bc6a46-18
0.533
ALP-POS-02c6a514-29
0.533
ALP-POS-b0bc6a46-22
0.530
ALP-POS-02c6a514-37
0.530
ALP-POS-e980f4ea-54
0.530
ALP-POS-02c6a514-25
0.530
ALP-POS-02c6a514-52
0.526
ALP-POS-02c6a514-40
0.525
ALP-POS-e980f4ea-46
0.525
ALP-POS-e980f4ea-22
0.521
ALP-POS-e980f4ea-13
0.521
ALP-POS-ced8ea4d-19
0.521
ALP-POS-305f6ec3-52
0.521
BRU-THA-92256091-42
0.520
ALP-POS-e980f4ea-41
0.517
ALP-POS-e980f4ea-45
0.516
BRU-THA-92256091-15
0.513
ALP-POS-e980f4ea-6
0.512
LON-WEI-2e27a2e5-2
0.509
ALP-POS-02c6a514-26
0.509
WIL-UNI-354943b6-10
0.508
ALP-POS-305f6ec3-39
0.508
ALP-POS-ced8ea4d-44
0.508
ALP-POS-02c6a514-11
0.504
ALP-POS-95f71980-2
0.504
MAT-POS-f2460aef-3
0.504
MAT-POS-f2460aef-5
0.504
ALP-POS-02c6a514-46
0.504
ALP-POS-305f6ec3-55
0.504
ALP-POS-95f71980-7
0.504
ALP-POS-305f6ec3-6
0.504
ALP-POS-305f6ec3-14
0.504
BRU-THA-92256091-23
0.504
ALP-POS-e980f4ea-2
0.504
ALP-POS-e980f4ea-58
0.504
ALP-POS-e980f4ea-66
0.504
BRU-THA-92256091-14
0.500
BRU-THA-92256091-20
0.500
BRU-THA-92256091-24
0.500
ALP-POS-305f6ec3-2
0.500
ALP-POS-305f6ec3-49
0.500
JOE-NOR-4e4adc6b-1
0.500
ALP-POS-1245c3fa-1
0.500
ALP-POS-305f6ec3-8
0.496
ALP-POS-e980f4ea-61
0.496
ALP-POS-305f6ec3-4
0.496
ALP-POS-e980f4ea-14
0.496
ALP-POS-305f6ec3-23
0.496
WIL-UNI-354943b6-2
0.496
ALP-UNI-fe744232-18
0.496
BRU-THA-92256091-18
0.496
ALP-POS-02c6a514-22
0.496
ALP-POS-305f6ec3-27
0.496
BRU-THA-92256091-22
0.496