Molecular Properties | |
SMILES: | COc1cncc(C(C(=O)NCCc2cccc(F)c2)N(C(=O)c2ccco2)c2ccc(C(C)(C)C)cc2)c1C |
MW: | 543.25 |
Fraction sp3: | 0.28 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 9 |
TPSA: | 84.67 |
cLogP: | 6.18 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 99.5 |
Order Status | |
Shipped: | 2020-10-22 |
Long aliphatic chain
ALP-POS-02c6a514-44
0.720
PAU-WEI-df8f33bc-2
0.720
ALF-EVA-46063d6e-2
0.714
ALF-EVA-719172df-7
0.713
PAU-WEI-df8f33bc-1
0.673
ALP-POS-02c6a514-32
0.673
MIC-UNK-9ffaa625-1
0.673
CHE-UNK-ae827f53-1
0.667
LON-WEI-2e27a2e5-1
0.663
MAT-POS-f2460aef-2
0.663
MAT-POS-f2460aef-1
0.663
MAT-POS-02ae579f-1
0.663
MIC-UNK-7c90192e-2
0.661
MIC-UNK-9ffaa625-2
0.655
MIC-UNK-7c90192e-1
0.649
ALP-POS-02c6a514-19
0.632
ALP-POS-a2344586-1
0.618
ALF-EVA-46063d6e-4
0.598
ALP-POS-02c6a514-48
0.586
ALP-POS-02c6a514-9
0.586
ALF-EVA-46063d6e-3
0.582
ALF-EVA-46063d6e-6
0.571
ALF-EVA-46063d6e-1
0.568
ALP-POS-02c6a514-34
0.565
ALP-POS-b0bc6a46-22
0.565
ALP-POS-02c6a514-37
0.565
PET-UNK-48ab5cd7-6
0.562
ALP-POS-02c6a514-31
0.561
DAR-DIA-48c639f7-1
0.558
ALF-EVA-719172df-4
0.554
DAR-DIA-48c639f7-2
0.553
ALF-EVA-46063d6e-7
0.550
DAR-DIA-48c639f7-17
0.550
ALF-EVA-719172df-3
0.549
DAR-DIA-48c639f7-8
0.548
ALP-POS-02c6a514-40
0.544
DAR-DIA-48c639f7-7
0.543
DAR-DIA-48c639f7-5
0.542
ALP-POS-d0876c20-19
0.538
ALF-EVA-719172df-6
0.537
DAR-DIA-48c639f7-4
0.534
DAR-DIA-48c639f7-6
0.534
ALP-POS-02c6a514-38
0.532
ALP-POS-b0bc6a46-23
0.532
ALP-POS-305f6ec3-49
0.532
DAR-DIA-48c639f7-18
0.530
ALP-POS-d0876c20-1
0.530
DAR-DIA-48c639f7-9
0.527
ALP-POS-95f71980-21
0.527
ALF-EVA-719172df-2
0.526
ALF-EVA-719172df-1
0.526
CHE-UNK-ae827f53-2
0.523
DAR-DIA-48c639f7-10
0.523
MIC-UNK-96659df2-3
0.521
DAR-DIA-48c639f7-3
0.521
ALP-POS-b0bc6a46-24
0.518
ALP-POS-02c6a514-39
0.518
ALP-POS-02c6a514-12
0.518
DAR-DIA-48c639f7-11
0.518
DAR-DIA-48c639f7-15
0.518
ALF-EVA-719172df-5
0.517
ALP-POS-b0bc6a46-18
0.513
ALP-POS-02c6a514-29
0.513
LON-WEI-babf2c61-2
0.509
MAT-POS-f2460aef-4
0.509
ALP-POS-02c6a514-25
0.509
MIC-UNK-96659df2-2
0.508
ALP-POS-95f71980-4
0.504
ALP-POS-95f71980-6
0.504
PET-UNK-48ab5cd7-5
0.504
ALP-POS-d0876c20-11
0.504
LON-WEI-2e27a2e5-2
0.500
MIC-UNK-96659df2-4
0.500
PET-UNK-48ab5cd7-2
0.500
ALP-POS-305f6ec3-23
0.500
ALP-POS-02c6a514-26
0.500
ALP-POS-305f6ec3-4
0.500
ALP-POS-305f6ec3-44
0.500
ALP-POS-d0876c20-15
0.500
ALP-POS-b0bc6a46-11
0.496
ALP-POS-02c6a514-18
0.496
ALP-POS-02c6a514-41
0.496
ALP-POS-b0bc6a46-25
0.496
ALP-POS-95f71980-25
0.496
ALP-POS-d0876c20-17
0.496
ALP-POS-95f71980-17
0.496
ALP-POS-02c6a514-11
0.495
ALP-POS-d0876c20-20
0.492
ALP-POS-02c6a514-5
0.492
ALP-POS-95f71980-18
0.492
DAR-DIA-48c639f7-16
0.492
ALP-POS-b0bc6a46-5
0.492
DAR-DIA-48c639f7-12
0.492
ALP-POS-95f71980-23
0.491
ALP-POS-02c6a514-52
0.491
ALP-POS-305f6ec3-59
0.491
LON-WEI-babf2c61-4
0.491
MIC-UNK-96659df2-1
0.488
PET-UNK-48ab5cd7-3
0.487
ALP-POS-d0876c20-14
0.487