Molecular Properties | |
SMILES: | COc1ccc(N(C(=O)c2cnc[nH]2)C(C(=O)NCCc2cccc(F)c2)c2cccnc2)cc1 |
MW: | 473.19 |
Fraction sp3: | 0.15 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 9 |
TPSA: | 100.21 |
cLogP: | 3.7 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 93.7197064670285 |
Order Status | |
Shipped: | synthesis in progress |
Long aliphatic chain
ALP-POS-e980f4ea-67
0.846
ALP-POS-e980f4ea-51
0.837
ALP-POS-e980f4ea-12
0.837
ALP-POS-e980f4ea-27
0.811
ALP-POS-e980f4ea-52
0.806
ALP-POS-e980f4ea-28
0.789
ALP-POS-e980f4ea-9
0.785
ALP-POS-e980f4ea-62
0.763
ALP-POS-e980f4ea-11
0.760
ALP-POS-e980f4ea-5
0.760
ALP-POS-e980f4ea-32
0.740
BRU-THA-92256091-19
0.732
ALP-POS-02c6a514-37
0.726
ALP-POS-b0bc6a46-22
0.726
ALP-POS-e980f4ea-49
0.724
ALP-POS-e980f4ea-39
0.724
ALP-POS-e980f4ea-16
0.723
ALP-POS-e980f4ea-37
0.714
ALP-POS-e980f4ea-44
0.713
ALP-POS-e980f4ea-50
0.712
ALP-POS-e980f4ea-17
0.709
ALP-POS-ced8ea4d-19
0.690
ALP-POS-e980f4ea-38
0.689
ALP-POS-e980f4ea-63
0.676
ALP-POS-e980f4ea-8
0.676
ALP-POS-e980f4ea-20
0.676
ALP-POS-e980f4ea-21
0.676
ALP-POS-e980f4ea-10
0.676
ALP-POS-e980f4ea-18
0.676
ALP-POS-e980f4ea-53
0.670
ALP-POS-e980f4ea-65
0.670
ALP-POS-e980f4ea-47
0.664
ALP-POS-e980f4ea-15
0.664
ALP-POS-e980f4ea-34
0.663
ALP-POS-e980f4ea-24
0.660
ALP-POS-e980f4ea-59
0.657
ALP-POS-e980f4ea-36
0.654
ALP-POS-e980f4ea-25
0.636
ALP-POS-305f6ec3-59
0.634
ALP-POS-e980f4ea-1
0.625
BRU-THA-92256091-18
0.625
ALP-POS-e980f4ea-7
0.622
ALP-POS-02c6a514-25
0.621
ALP-POS-e980f4ea-64
0.620
ALP-POS-02c6a514-52
0.618
WIL-UNI-354943b6-14
0.617
BRU-THA-92256091-16
0.613
BRU-THA-92256091-17
0.613
PET-UNK-48ab5cd7-2
0.612
ALP-POS-305f6ec3-52
0.610
ALP-POS-305f6ec3-39
0.610
ALP-POS-e980f4ea-30
0.603
ALP-POS-e980f4ea-35
0.595
ALF-EVA-719172df-6
0.594
ALP-POS-e980f4ea-40
0.593
ALP-POS-e980f4ea-54
0.592
ALP-POS-e980f4ea-41
0.590
ALP-POS-305f6ec3-6
0.590
ALP-POS-ced8ea4d-67
0.589
BRU-THA-92256091-23
0.589
ALP-POS-1245c3fa-1
0.587
BRU-THA-92256091-24
0.587
LON-WEI-2e27a2e5-2
0.584
BRU-THA-92256091-93
0.584
ALP-UNI-fe744232-30
0.582
ALP-POS-e980f4ea-46
0.582
ALP-POS-e980f4ea-13
0.581
ALP-POS-e980f4ea-22
0.581
BRU-THA-92256091-22
0.581
ALP-POS-02c6a514-11
0.578
ALP-POS-ced8ea4d-51
0.578
ALP-POS-ced8ea4d-12
0.578
ALP-POS-95f71980-2
0.577
MAT-POS-f2460aef-3
0.575
MAT-POS-f2460aef-5
0.575
ALP-POS-02c6a514-46
0.575
ALP-POS-305f6ec3-14
0.575
ALP-POS-e980f4ea-2
0.574
ALP-POS-e980f4ea-58
0.574
ALP-POS-02c6a514-38
0.573
ALP-POS-b0bc6a46-23
0.573
ALP-POS-e980f4ea-45
0.573
ALP-POS-e980f4ea-48
0.571
BRU-THA-92256091-15
0.570
ALP-POS-305f6ec3-2
0.570
ALP-POS-02c6a514-40
0.569
ALP-POS-e980f4ea-6
0.568
MAT-POS-f2460aef-1
0.567
MAT-POS-f2460aef-2
0.567
ALP-POS-02c6a514-26
0.567
BRU-THA-92256091-8
0.567
ALP-POS-95f71980-21
0.567
LON-WEI-2e27a2e5-1
0.567
ALP-POS-305f6ec3-36
0.566
ALP-POS-02c6a514-22
0.566
WIL-UNI-354943b6-2
0.565
WIL-UNI-354943b6-10
0.565
ALP-POS-e980f4ea-14
0.564
ALP-POS-305f6ec3-23
0.564
ALP-POS-95f71980-17
0.562