Molecular Properties | |
SMILES: | COc1nccnc1C(C(=O)NCCc1cccc(F)c1)N(C(=O)c1cocn1)c1ccc(C(C)(C)C)cc1 |
MW: | 531.23 |
Fraction sp3: | 0.28 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 9 |
TPSA: | 110.45 |
cLogP: | 4.66 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 94.8614877084905 |
Order Status | |
Shipped: | synthesis in progress |
Long aliphatic chain
ALP-POS-d0876c20-16
0.743
ALP-POS-d0876c20-21
0.680
ALP-POS-d0876c20-5
0.676
ALP-POS-d0876c20-19
0.676
ALP-POS-d0876c20-14
0.670
ALP-POS-d0876c20-17
0.667
ALP-POS-02c6a514-50
0.663
ALP-POS-d0876c20-10
0.642
ALP-POS-d0876c20-1
0.639
ALP-POS-d0876c20-11
0.639
ALP-POS-d0876c20-3
0.624
ALP-POS-d0876c20-7
0.618
ALP-POS-d0876c20-12
0.616
ALP-POS-d0876c20-2
0.613
ALP-POS-d0876c20-9
0.613
ALP-POS-d0876c20-4
0.612
ALP-POS-d0876c20-20
0.607
ALP-POS-d0876c20-13
0.602
ALP-POS-d0876c20-24
0.602
ALP-POS-d9b6304e-1
0.600
ALP-POS-a2344586-2
0.600
ALP-POS-d0876c20-23
0.591
ALP-POS-d0876c20-18
0.591
ALP-UNI-fe744232-18
0.591
ALP-POS-ced8ea4d-19
0.577
ALP-POS-95f71980-36
0.575
ALP-POS-d0876c20-6
0.566
ALP-POS-d0876c20-8
0.566
ALP-POS-ced8ea4d-52
0.553
ALP-POS-ced8ea4d-27
0.550
ALP-UNI-fe744232-9
0.548
ALP-POS-ced8ea4d-67
0.544
ALP-POS-d0876c20-22
0.543
ALP-POS-ced8ea4d-9
0.540
ALP-POS-ced8ea4d-5
0.539
ALP-UNI-fe744232-15
0.538
ALP-UNI-fe744232-30
0.538
ALP-POS-ced8ea4d-51
0.534
ALP-POS-ced8ea4d-12
0.534
ALP-UNI-fe744232-17
0.534
ALP-POS-ced8ea4d-16
0.534
ALP-POS-ced8ea4d-28
0.532
ALP-UNI-fe744232-3
0.530
ALP-POS-95f71980-37
0.530
ALP-POS-ced8ea4d-62
0.530
ALP-UNI-fe744232-14
0.526
ALP-POS-ced8ea4d-11
0.526
ALP-UNI-fe744232-19
0.521
ALP-POS-ced8ea4d-37
0.517
ALP-UNI-fe744232-12
0.517
ALP-POS-ced8ea4d-49
0.513
ALP-POS-ced8ea4d-39
0.513
ALP-UNI-fe744232-22
0.513
ALP-POS-95f71980-34
0.512
ALP-POS-ced8ea4d-50
0.512
PET-UNK-48ab5cd7-3
0.509
ALP-POS-305f6ec3-12
0.508
ALP-UNI-fe744232-1
0.508
ALP-POS-95f71980-3
0.508
ALP-POS-ced8ea4d-17
0.508
MAT-POS-f2460aef-3
0.504
ALP-UNI-fe744232-25
0.504
ALP-POS-95f71980-10
0.504
ALP-UNI-fe744232-11
0.500
ALP-POS-305f6ec3-49
0.500
ALP-POS-95f71980-4
0.500
ALP-POS-95f71980-16
0.500
ALP-POS-02c6a514-13
0.500
ALP-POS-95f71980-27
0.500
ALP-POS-95f71980-35
0.500
ALP-POS-ced8ea4d-53
0.496
ALP-POS-02c6a514-34
0.496
ALP-POS-ced8ea4d-44
0.496
ALP-POS-ced8ea4d-63
0.496
ALP-POS-95f71980-14
0.496
ALF-EVA-719172df-2
0.496
ALP-POS-305f6ec3-46
0.496
LON-WEI-2e27a2e5-1
0.496
MAT-POS-f2460aef-1
0.496
MAT-POS-f2460aef-2
0.496
ALF-EVA-46063d6e-2
0.496
ALP-POS-95f71980-33
0.492
ALP-POS-95f71980-31
0.492
ALP-POS-95f71980-25
0.491
MAT-POS-f2460aef-5
0.491
ALP-POS-02c6a514-25
0.491
ALP-POS-305f6ec3-48
0.491
ALP-POS-305f6ec3-14
0.491
ALP-POS-95f71980-17
0.491
MAT-POS-02ae579f-1
0.491
ALP-POS-ced8ea4d-32
0.488
ALP-UNI-fe744232-13
0.488
ALP-POS-95f71980-28
0.488
ALP-POS-ced8ea4d-10
0.488
ALP-POS-95f71980-12
0.488
ALP-POS-305f6ec3-50
0.487
ALP-POS-305f6ec3-54
0.487
ALP-POS-95f71980-23
0.487
ALP-POS-02c6a514-12
0.487
ALP-POS-95f71980-38
0.484