Molecular Properties | |
SMILES: | N#Cc1ccc(N(C(=O)c2ccco2)C(C(=O)NCCc2cccc(F)c2)c2cccnc2)cc1 |
MW: | 468.16 |
Fraction sp3: | 0.11 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 8 |
TPSA: | 99.23 |
cLogP: | 4.43 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 10.3951776243351 |
Order Status | |
Shipped: | 2020-10-22 |
Long aliphatic chain
ALP-POS-02c6a514-39
1.000
ALF-EVA-719172df-6
0.798
ALP-POS-b0bc6a46-23
0.789
ALP-POS-02c6a514-38
0.789
MAT-POS-f2460aef-1
0.780
LON-WEI-2e27a2e5-1
0.780
MAT-POS-f2460aef-2
0.780
PET-UNK-48ab5cd7-6
0.779
ALP-POS-02c6a514-37
0.772
ALP-POS-b0bc6a46-22
0.772
PET-UNK-48ab5cd7-5
0.740
ALP-UNI-fe744232-3
0.724
ALP-POS-02c6a514-5
0.717
ALP-POS-b0bc6a46-5
0.717
ALP-POS-780445ae-6
0.714
WIL-UNI-354943b6-2
0.714
PAU-WEI-ca14c437-1
0.704
PAU-WEI-d9f77348-1
0.690
RYA-UNI-c3f66fb2-1
0.674
ALP-POS-02c6a514-7
0.673
ALP-POS-b0bc6a46-6
0.673
ALP-POS-02c6a514-18
0.673
ALP-POS-b0bc6a46-11
0.673
MIC-UNK-8686cf1d-2
0.654
ALP-POS-02c6a514-33
0.653
KHR-WEI-75c61062-1
0.645
MIC-UNK-8686cf1d-6
0.642
ALP-POS-02c6a514-29
0.642
ALP-POS-b0bc6a46-18
0.642
KHR-WEI-75c61062-2
0.634
ALP-POS-b0bc6a46-16
0.628
ALP-POS-02c6a514-27
0.628
PET-UNK-48ab5cd7-4
0.627
ALP-POS-b0bc6a46-12
0.627
ALP-POS-02c6a514-20
0.627
ALP-POS-02c6a514-43
0.626
ALP-POS-b0bc6a46-27
0.626
RYA-UNI-f4a878f6-1
0.625
ALP-POS-b0bc6a46-25
0.625
ALP-POS-02c6a514-41
0.625
ALP-POS-305f6ec3-49
0.624
ALP-POS-02c6a514-12
0.624
ALP-POS-b0bc6a46-8
0.621
ALP-POS-02c6a514-14
0.621
ALP-POS-95f71980-21
0.620
ALP-POS-b0bc6a46-2
0.606
ALP-POS-02c6a514-2
0.606
MAT-POS-f2460aef-4
0.596
ALP-POS-b0bc6a46-13
0.593
ALP-POS-02c6a514-21
0.593
ALP-POS-95f71980-4
0.592
ALP-POS-95f71980-6
0.590
LON-WEI-2e27a2e5-2
0.590
PET-UNK-7d68125a-4
0.588
MIC-UNK-96659df2-7
0.587
MAT-POS-02ae579f-1
0.586
ALP-POS-02c6a514-23
0.585
ALP-POS-b0bc6a46-14
0.585
ALP-POS-02c6a514-11
0.584
ALP-POS-305f6ec3-4
0.583
PET-UNK-7d68125a-2
0.583
PET-UNK-7d68125a-3
0.583
MIC-UNK-8686cf1d-9
0.583
ALP-POS-02c6a514-15
0.579
ALP-POS-b0bc6a46-9
0.579
ALP-POS-ced8ea4d-67
0.579
JOE-NOR-4e4adc6b-1
0.577
ALP-POS-02c6a514-52
0.577
ALP-POS-b0bc6a46-3
0.577
ALP-POS-02c6a514-3
0.577
ALP-POS-e980f4ea-67
0.575
ALP-POS-ced8ea4d-9
0.575
ALP-POS-95f71980-18
0.574
ALP-POS-e980f4ea-27
0.573
ALP-POS-02c6a514-26
0.573
ALP-POS-02c6a514-35
0.573
ALP-POS-b0bc6a46-20
0.573
ALP-POS-ced8ea4d-27
0.571
ALP-POS-305f6ec3-44
0.571
ALP-POS-e980f4ea-9
0.571
PET-UNK-48ab5cd7-3
0.571
PET-UNK-7d68125a-1
0.571
MIC-UNK-96659df2-6
0.570
BRU-THA-92256091-18
0.570
BRU-THA-92256091-21
0.569
LON-POS-586a7c45-1
0.569
PAU-WEI-5b8d5051-1
0.569
PAU-WEI-5b8d5051-2
0.569
LON-WEI-adc59df6-47
0.569
ALP-POS-95f71980-2
0.567
ALP-POS-95f71980-17
0.567
ALP-POS-95f71980-25
0.566
PAU-WEI-df8f33bc-2
0.566
ALP-POS-02c6a514-25
0.566
ALP-UNI-c3ef0aba-3
0.566
ALP-POS-02c6a514-6
0.566
ALP-POS-02c6a514-44
0.566
ALP-POS-02c6a514-46
0.566
ALP-POS-02c6a514-50
0.566
LON-WEI-babf2c61-9
0.563