Molecular Properties | |
SMILES: | CCOC1CC2(C1)CC2N(C(=O)c1ccco1)C(C(=O)NCCc1cccc(F)c1)c1cccnc1 |
MW: | 491.22 |
Fraction sp3: | 0.39 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 10 |
TPSA: | 84.67 |
cLogP: | 4.31 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 99.5 |
Order Status | |
Shipped: | 2020-10-22 |
Long aliphatic chain
ALP-POS-02c6a514-4
1.000
ALP-POS-02c6a514-15
0.630
ALP-POS-b0bc6a46-9
0.630
ALP-POS-b0bc6a46-15
0.613
ALP-POS-02c6a514-24
0.613
KHR-WEI-75c61062-1
0.600
ALP-POS-b0bc6a46-21
0.595
ALP-POS-02c6a514-36
0.595
KHR-WEI-75c61062-2
0.590
MIC-UNK-8686cf1d-3
0.579
ALP-POS-b0bc6a46-28
0.579
ALP-POS-02c6a514-47
0.579
MIC-UNK-8686cf1d-1
0.578
MIC-UNK-8686cf1d-7
0.569
MIC-UNK-8686cf1d-4
0.568
PET-UNK-48ab5cd7-5
0.568
ALF-EVA-719172df-6
0.561
MIC-UNK-8686cf1d-9
0.560
ALP-POS-02c6a514-37
0.560
ALP-POS-b0bc6a46-22
0.560
ALP-POS-b0bc6a46-23
0.556
ALP-POS-02c6a514-38
0.556
ALP-POS-02c6a514-5
0.553
ALP-POS-b0bc6a46-5
0.553
ALP-POS-02c6a514-2
0.551
ALP-POS-b0bc6a46-2
0.551
MAT-POS-f2460aef-2
0.550
MAT-POS-f2460aef-1
0.550
LON-WEI-2e27a2e5-1
0.550
MIC-UNK-8686cf1d-5
0.550
MIC-UNK-8686cf1d-8
0.550
PAU-WEI-d9f77348-1
0.544
ALP-POS-b0bc6a46-25
0.544
ALP-POS-02c6a514-41
0.544
ALP-POS-b0bc6a46-26
0.541
ALP-POS-02c6a514-42
0.541
ALP-POS-02c6a514-39
0.541
ALP-POS-b0bc6a46-24
0.541
PAU-WEI-ca14c437-1
0.540
ALP-POS-b0bc6a46-8
0.540
ALP-POS-02c6a514-14
0.540
ALP-POS-b0bc6a46-12
0.531
ALP-POS-02c6a514-20
0.531
ALP-POS-b0bc6a46-6
0.530
ALP-POS-02c6a514-7
0.530
PET-UNK-48ab5cd7-6
0.530
ALP-POS-02c6a514-18
0.530
ALP-POS-b0bc6a46-11
0.530
ALP-POS-02c6a514-1
0.529
ALP-POS-b0bc6a46-1
0.529
ALP-POS-e980f4ea-6
0.525
ALP-POS-e980f4ea-22
0.522
ALP-POS-02c6a514-29
0.521
ALP-POS-b0bc6a46-18
0.521
ALP-POS-02c6a514-21
0.520
ALP-POS-b0bc6a46-13
0.520
PET-UNK-48ab5cd7-4
0.518
ALP-POS-b0bc6a46-7
0.517
ALP-POS-02c6a514-8
0.517
MIC-UNK-8686cf1d-2
0.517
BRU-THA-92256091-3
0.517
BRU-THA-92256091-5
0.517
ALP-POS-02c6a514-28
0.516
ALP-POS-b0bc6a46-17
0.516
ALP-POS-02c6a514-16
0.513
ALP-POS-b0bc6a46-10
0.513
MIC-UNK-96659df2-7
0.513
RYA-UNI-f4a878f6-1
0.509
ALP-POS-e980f4ea-13
0.509
ALP-POS-e980f4ea-14
0.508
ALP-POS-02c6a514-58
0.508
ALP-POS-e980f4ea-61
0.508
ALP-POS-b0bc6a46-29
0.508
ALP-POS-ced8ea4d-6
0.508
ALP-POS-e980f4ea-2
0.504
ALP-POS-ced8ea4d-22
0.504
ALP-POS-e980f4ea-66
0.504
BRU-THA-92256091-25
0.504
BRU-THA-92256091-37
0.500
BRU-THA-92256091-34
0.500
ALP-POS-e980f4ea-56
0.500
ALP-POS-e980f4ea-57
0.496
ALP-POS-02c6a514-10
0.496
MIC-UNK-8686cf1d-6
0.496
ALP-POS-e980f4ea-33
0.496
BRU-THA-92256091-13
0.496
ALP-POS-02c6a514-23
0.492
ALP-POS-b0bc6a46-14
0.492
ALP-POS-b0bc6a46-27
0.492
ALP-POS-02c6a514-43
0.492
MIC-UNK-96659df2-5
0.492
MIC-UNK-96659df2-8
0.492
ALP-POS-02c6a514-30
0.492
ALP-POS-b0bc6a46-19
0.492
ALP-POS-ced8ea4d-61
0.492
ALP-POS-02c6a514-3
0.492
ALP-POS-e980f4ea-55
0.492
ALP-POS-b0bc6a46-3
0.492
BRU-THA-92256091-36
0.492
BRU-THA-92256091-10
0.492