Molecular Properties | |
SMILES: | O=C(NCCc1cccc(F)c1)C(c1cccnc1)N(C(=O)c1ccco1)c1ccc(C2CCCC2)cc1 |
MW: | 511.23 |
Fraction sp3: | 0.26 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 9 |
TPSA: | 75.44 |
cLogP: | 6.22 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 0.281678424764268 |
Order Status | |
Shipped: | 2020-10-22 |
Long aliphatic chain
ALP-POS-02c6a514-5
1.000
ALF-EVA-719172df-6
0.747
ALP-POS-b0bc6a46-22
0.742
ALP-POS-02c6a514-37
0.742
ALP-POS-02c6a514-38
0.740
ALP-POS-b0bc6a46-23
0.740
MAT-POS-f2460aef-1
0.732
LON-WEI-2e27a2e5-1
0.732
MAT-POS-f2460aef-2
0.732
ALP-POS-b0bc6a46-24
0.717
ALP-POS-02c6a514-39
0.717
PET-UNK-48ab5cd7-5
0.713
PET-UNK-48ab5cd7-6
0.683
ALP-POS-b0bc6a46-6
0.651
ALP-POS-02c6a514-7
0.651
PAU-WEI-ca14c437-1
0.648
ALP-POS-b0bc6a46-16
0.638
ALP-POS-02c6a514-27
0.638
ALP-POS-02c6a514-18
0.636
ALP-POS-b0bc6a46-11
0.636
RYA-UNI-c3f66fb2-1
0.634
ALP-POS-e980f4ea-62
0.630
PAU-WEI-d9f77348-1
0.620
BRU-THA-92256091-80
0.618
ALP-POS-ced8ea4d-62
0.618
MIC-UNK-8686cf1d-2
0.618
ALP-POS-02c6a514-23
0.608
ALP-POS-b0bc6a46-14
0.608
ALP-POS-b0bc6a46-18
0.607
ALP-POS-02c6a514-29
0.607
MIC-UNK-8686cf1d-6
0.607
KHR-WEI-75c61062-1
0.606
ALP-POS-02c6a514-12
0.604
ALP-POS-b0bc6a46-13
0.603
ALP-POS-02c6a514-21
0.603
KHR-WEI-75c61062-2
0.596
ALP-POS-95f71980-27
0.595
ALP-POS-02c6a514-20
0.593
ALP-POS-b0bc6a46-12
0.593
PET-UNK-48ab5cd7-4
0.593
ALP-POS-305f6ec3-49
0.589
RYA-UNI-f4a878f6-1
0.588
ALP-POS-02c6a514-14
0.587
ALP-POS-b0bc6a46-8
0.587
ALP-POS-02c6a514-36
0.586
ALP-POS-b0bc6a46-21
0.586
ALP-POS-95f71980-21
0.585
MIC-UNK-96659df2-5
0.585
ALP-POS-02c6a514-16
0.584
ALP-POS-b0bc6a46-10
0.584
ALP-POS-b0bc6a46-25
0.577
ALP-POS-02c6a514-41
0.577
ALP-POS-780445ae-10
0.577
ALP-POS-95f71980-4
0.574
ALP-POS-b0bc6a46-2
0.571
ALP-POS-02c6a514-2
0.571
MIC-UNK-96659df2-7
0.570
MAT-POS-f2460aef-4
0.564
ALP-POS-95f71980-6
0.559
ALP-POS-02c6a514-42
0.558
ALP-POS-b0bc6a46-26
0.558
ALP-POS-02c6a514-17
0.558
LON-WEI-2e27a2e5-2
0.557
ALP-POS-02c6a514-43
0.556
ALP-POS-b0bc6a46-27
0.556
MIC-UNK-9ffaa625-2
0.556
MIC-UNK-96659df2-6
0.555
ALP-POS-95f71980-34
0.555
ALP-POS-02c6a514-4
0.553
ALP-POS-ced8ea4d-63
0.553
ALP-POS-b0bc6a46-4
0.553
MAT-POS-02ae579f-1
0.552
ALP-POS-02c6a514-11
0.551
LON-POS-586a7c45-1
0.551
LON-WEI-adc59df6-47
0.551
PAU-WEI-5b8d5051-1
0.551
ALP-POS-ced8ea4d-17
0.551
ALP-POS-95f71980-2
0.550
MIC-UNK-8686cf1d-9
0.550
ALP-POS-ced8ea4d-67
0.549
ALP-POS-02c6a514-24
0.548
ALP-POS-b0bc6a46-15
0.548
ALP-POS-02c6a514-3
0.547
ALP-POS-b0bc6a46-3
0.547
ALP-POS-e980f4ea-17
0.547
LON-WEI-babf2c61-9
0.546
MIC-UNK-96659df2-8
0.546
ALP-POS-e980f4ea-67
0.545
ALP-POS-ced8ea4d-9
0.545
ALP-POS-e980f4ea-63
0.544
ALP-POS-02c6a514-51
0.544
ALP-POS-95f71980-18
0.544
MIC-UNK-9ffaa625-1
0.543
ALP-POS-305f6ec3-7
0.542
ALP-POS-e980f4ea-27
0.541
ALP-POS-02c6a514-26
0.541
ALP-POS-e980f4ea-9
0.541
ALP-POS-305f6ec3-44
0.541
PET-UNK-48ab5cd7-3
0.541
ALP-POS-02c6a514-22
0.541