Molecular Properties | |
SMILES: | COC(=O)CCSc1cc(Cl)ccc1N(C(=O)c1ccco1)C(C(=O)NCCc1cccc(F)c1)c1cccnc1 |
MW: | 595.13 |
Fraction sp3: | 0.2 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 12 |
TPSA: | 101.74 |
cLogP: | 5.87 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 16.6406317542108 |
Order Status | |
Shipped: | 2020-10-22 |
Ester
Long aliphatic chain
ALP-POS-b0bc6a46-17
1.000
ALP-POS-02c6a514-41
0.634
ALP-POS-b0bc6a46-25
0.634
ALP-POS-02c6a514-14
0.631
ALP-POS-b0bc6a46-8
0.631
ALF-EVA-719172df-6
0.611
ALP-POS-02c6a514-37
0.609
ALP-POS-b0bc6a46-22
0.609
MIC-UNK-8686cf1d-2
0.590
RYA-UNI-c3f66fb2-1
0.587
MIC-UNK-96659df2-7
0.585
ALP-POS-02c6a514-38
0.577
ALP-POS-b0bc6a46-23
0.577
RYA-UNI-f4a878f6-1
0.574
LON-WEI-2e27a2e5-1
0.571
MAT-POS-f2460aef-1
0.571
MAT-POS-f2460aef-2
0.571
MIC-UNK-8686cf1d-9
0.566
ALP-POS-02c6a514-39
0.561
ALP-POS-b0bc6a46-24
0.561
MIC-UNK-96659df2-8
0.561
MIC-UNK-96659df2-6
0.556
ALP-POS-b0bc6a46-12
0.552
PET-UNK-48ab5cd7-4
0.552
ALP-POS-02c6a514-20
0.552
KHR-WEI-75c61062-2
0.551
ALP-POS-02c6a514-7
0.551
PAU-WEI-d9f77348-1
0.551
ALP-POS-b0bc6a46-6
0.551
MIC-UNK-96659df2-5
0.548
PET-UNK-48ab5cd7-5
0.547
PAU-WEI-ca14c437-1
0.547
KHR-WEI-75c61062-1
0.546
MIC-UNK-8686cf1d-6
0.541
ALP-POS-02c6a514-29
0.541
ALP-POS-b0bc6a46-18
0.541
ALP-POS-b0bc6a46-13
0.540
ALP-POS-02c6a514-21
0.540
PET-UNK-48ab5cd7-6
0.538
ALP-POS-b0bc6a46-9
0.538
ALP-POS-02c6a514-15
0.538
ALP-POS-02c6a514-18
0.538
ALP-POS-b0bc6a46-11
0.538
ALP-POS-02c6a514-5
0.533
ALP-POS-b0bc6a46-5
0.533
MIC-UNK-8686cf1d-3
0.520
ALP-POS-b0bc6a46-2
0.518
ALP-POS-02c6a514-2
0.518
ALP-POS-02c6a514-4
0.516
ALP-POS-b0bc6a46-4
0.516
ALP-POS-b0bc6a46-15
0.512
ALP-POS-02c6a514-24
0.512
ALP-POS-02c6a514-3
0.512
ALP-POS-b0bc6a46-3
0.512
ALP-POS-b0bc6a46-16
0.511
ALP-POS-02c6a514-27
0.511
ALP-POS-02c6a514-36
0.508
ALP-POS-b0bc6a46-21
0.508
MIC-UNK-8686cf1d-1
0.508
ALP-POS-b0bc6a46-14
0.500
ALP-POS-02c6a514-23
0.500
MIC-UNK-8686cf1d-4
0.500
ALP-POS-1245c3fa-2
0.496
ALP-POS-1245c3fa-1
0.496
ALP-POS-b0bc6a46-29
0.492
ALP-POS-02c6a514-58
0.492
MIC-UNK-8686cf1d-7
0.488
ALP-POS-b0bc6a46-28
0.484
ALP-POS-02c6a514-47
0.484
ALP-POS-02c6a514-35
0.484
ALP-POS-b0bc6a46-20
0.484
ALP-POS-02c6a514-43
0.478
ALP-POS-b0bc6a46-27
0.478
ALP-POS-b0bc6a46-7
0.476
ALP-POS-02c6a514-8
0.476
MAT-POS-f2460aef-4
0.475
LON-WEI-babf2c61-10
0.475
MIC-UNK-8686cf1d-8
0.473
MIC-UNK-8686cf1d-5
0.473
BRU-THA-92256091-19
0.472
ALP-POS-305f6ec3-49
0.471
ALP-POS-02c6a514-12
0.471
DAR-DIA-48c639f7-2
0.468
ALP-POS-ced8ea4d-19
0.468
ALP-POS-e980f4ea-19
0.467
ALP-POS-95f71980-21
0.467
ALP-POS-02c6a514-42
0.466
ALP-POS-b0bc6a46-26
0.466
ALP-POS-305f6ec3-14
0.463
LON-WEI-adc59df6-47
0.462
PAU-WEI-5b8d5051-1
0.462
PAU-WEI-5b8d5051-2
0.462
LON-POS-586a7c45-1
0.462
ALP-POS-b0bc6a46-10
0.461
ALP-POS-02c6a514-16
0.461
ALP-POS-95f71980-18
0.460
ALP-POS-02c6a514-40
0.460
ALP-POS-95f71980-4
0.459
LON-WEI-babf2c61-9
0.458
ALP-POS-305f6ec3-4
0.457