Molecular Properties | |
SMILES: | O=C(Cc1cccc(Cl)c1)Nc1cnccc1C(=O)O |
MW: | 290.05 |
Fraction sp3: | 0.07 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 79.29 |
cLogP: | 2.61 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 99.5 |
Order Status | |
Shipped: | 2021-01-28 |
JOH-UNI-abfda500-5
0.767
ANN-UNI-98d2bf15-3
0.767
JOH-UNI-abfda500-7
0.667
SAM-UNK-2684b532-13
0.645
ALP-POS-95b75b4d-8
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ALP-POS-95b75b4d-6
0.635
TRY-UNI-714a760b-6
0.625
MAK-UNK-6ca90168-23
0.597
SAM-UNK-2684b532-11
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SAM-UNK-2684b532-12
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MAT-POS-bb423b95-5
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MAT-POS-bb423b95-3
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ALP-POS-0c2c77e1-1
0.586
ALP-POS-95b75b4d-7
0.580
MAT-POS-bb423b95-4
0.571
ALP-POS-95b75b4d-5
0.571
JAN-GHE-5a013bed-10
0.554
MAT-POS-bb423b95-1
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MAT-POS-bb423b95-9
0.549
ABI-SAT-4d06482b-2
0.544
EDG-MED-0da5ad92-2
0.538
MAT-POS-f7918075-5
0.534
PET-UNK-8df914d1-3
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JAN-GHE-5a013bed-8
0.515
TRY-UNI-714a760b-3
0.514
JAN-GHE-5a013bed-9
0.508
EDG-MED-0da5ad92-16
0.500
EDG-MED-0da5ad92-21
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MAT-POS-bb423b95-2
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MAT-POS-bb423b95-8
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ADA-UCB-6c2cb422-1
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EDG-MED-0da5ad92-14
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MAT-POS-f7918075-3
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EDJ-MED-a364e151-1
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MAT-POS-f7918075-8
0.487
MIC-UNK-08cd9c58-1
0.487
MIC-UNK-50cce87d-2
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JOH-UNI-61f30276-4
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MAT-POS-f7918075-7
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EDJ-MED-a364e151-3
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MIC-UNK-50cce87d-1
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MIC-UNK-50cce87d-3
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MAT-POS-199e2e7c-1
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AGN-NEW-c7b24fe3-4
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EDG-MED-0da5ad92-17
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AGN-NEW-c7b24fe3-5
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EDG-MED-0da5ad92-12
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MIC-UNK-66895286-1
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EDJ-MED-a364e151-2
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MAT-POS-f7918075-4
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MIC-UNK-8971c93c-1
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EDJ-MED-c8e7a002-12
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AGN-NEW-c7b24fe3-1
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EDG-MED-0da5ad92-6
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JAN-GHE-5a013bed-6
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MAT-POS-14ad9fe9-1
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MIC-UNK-50cce87d-4
0.462
MAT-POS-f7918075-6
0.461
EDJ-MED-50fe53e8-2
0.461
MIC-UNK-d935700b-1
0.459
EDG-MED-0da5ad92-13
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PET-UNK-8df914d1-4
0.457
JOH-UNI-ee5ed7c8-1
0.457
JOH-UNI-3fc3434e-1
0.457
EDJ-MED-c8e7a002-16
0.455
ALP-POS-3b848b35-3
0.453
VLA-UCB-00f2c2b3-7
0.453
EDJ-MED-49816e9b-3
0.451
JOH-UNI-ee5ed7c8-3
0.450
PET-UNK-8df914d1-1
0.450
JOH-UNI-3fc3434e-3
0.450
EDJ-MED-00c1612e-1
0.450
JAN-GHE-5a013bed-11
0.449
EDJ-MED-976da9a6-2
0.444
EDJ-MED-976da9a6-1
0.444
ALP-POS-f13221e1-4
0.440
EDG-MED-0da5ad92-18
0.438
JAG-UCB-a3ef7265-17
0.437
NAU-LAT-e1818702-7
0.437
EDJ-MED-49816e9b-2
0.437
JOH-UNI-6fede743-1
0.436
MIC-UNK-d935700b-2
0.436
DAR-DIA-0cde14eb-2
0.436
JAN-GHE-5a013bed-7
0.435
NAU-LAT-e1818702-10
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JOH-UNI-6fede743-3
0.434
MAT-POS-bb423b95-6
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MAK-UNK-ffc90da7-3
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JOH-UNI-ee5ed7c8-4
0.432
JOH-UNI-3fc3434e-4
0.432
MAT-POS-4211dce8-1
0.429
DAR-DIA-0cde14eb-78
0.429
EDJ-MED-e58735b6-2
0.425
EDG-MED-0da5ad92-15
0.425
ALP-POS-95b75b4d-2
0.425
JAN-GHE-83b26c96-13
0.425
PET-UNK-8df914d1-5
0.421
JOH-UNI-3fc3434e-2
0.420
JOH-UNI-ee5ed7c8-2
0.420
JAN-GHE-83b26c96-12
0.419