Molecule Details
| Molecular Properties | |
| SMILES: | Cn1nccc1C(=O)N1Cc2ccc(Cl)cc2C(C(=O)Nc2cncc3ccccc23)C1 |
| MW: | 445.13 |
| Fraction sp3: | 0.17 |
| HBA: | 5 |
| HBD: | 1 |
| Rotatable Bonds: | 3 |
| TPSA: | 80.12 |
| cLogP: | 4.0 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Activity Data | |
| IC50 (µM) - Fluorescence: | 0.155670113722332 |
| Order Status | |
| Ordered: | 2021-03-30 |
| Synthesis Location: | enamine |
| Shipped: | 2021-04-28 |
MAT-POS-4223bc15-41
0.789
MAT-POS-4223bc15-37
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MAT-POS-be048f2c-4
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MAT-POS-be048f2c-1
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MAT-POS-be048f2c-2
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MAT-POS-be048f2c-3
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PET-UNK-9b23ef84-2
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MAT-POS-dd3ad2b5-2
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MAT-POS-4223bc15-19
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RAL-THA-6e4c80cf-1
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MAT-POS-4223bc15-38
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MAT-POS-4223bc15-18
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MAT-POS-dd3ad2b5-3
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MAT-POS-4223bc15-36
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MAT-POS-dd3ad2b5-5
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MAT-POS-4223bc15-39
0.692
MAT-POS-4223bc15-17
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MAT-POS-4223bc15-20
0.680
RAL-THA-6e4c80cf-2
0.680
MAT-POS-4223bc15-35
0.670
BEN-DND-f2e727cd-6
0.667
MAT-POS-dd3ad2b5-1
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MAT-POS-4223bc15-33
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ALF-EVA-0e90125c-2
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ALF-EVA-0e90125c-1
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MAT-POS-24589f88-3
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MAT-POS-24589f88-2
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MAT-POS-dd3ad2b5-4
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RAL-THA-6e4c80cf-4
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PET-UNK-d61f3ea6-2
0.627
EDJ-MED-cc48ee33-1
0.626
MAT-POS-4223bc15-21
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EDJ-MED-c40d95bc-2
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VLA-UNK-5b0345c3-1
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MAT-POS-4223bc15-34
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MAT-POS-4223bc15-1
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MAT-POS-4223bc15-3
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MAT-POS-4223bc15-6
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MIC-UNK-482af05e-1
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VLA-UNK-5b0345c3-2
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RAL-THA-ee48ba5f-5
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MAT-POS-4223bc15-23
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MAT-POS-8293a91a-4
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MAT-POS-8293a91a-5
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EDJ-MED-12c4873b-3
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MAT-POS-4223bc15-2
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MAT-POS-4223bc15-27
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MIC-UNK-482af05e-2
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MAT-POS-4223bc15-28
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MAT-POS-4223bc15-7
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MAT-POS-4223bc15-25
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PET-UNK-162c14b2-1
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MAT-POS-61f37a1a-12
0.608
RAL-THA-6e4c80cf-3
0.607
BRU-THA-98e973b9-1
0.606
MAT-POS-4223bc15-13
0.606
EDJ-MED-12c4873b-1
0.604
MAT-UNK-35705829-1
0.604
EDJ-MED-e9a22d5d-1
0.602
CLI-TLC-3a13eaf2-1
0.600
MAT-POS-4223bc15-22
0.600
MAT-POS-4223bc15-24
0.600
MAT-POS-4223bc15-31
0.600
MAT-POS-5cd9ea36-20
0.598
PET-UNK-af70882d-3
0.598
PET-UNK-af70882d-4
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MAT-UNK-f490e871-1
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MAT-POS-5cd9ea36-10
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JOH-SUS-07b743f6-7
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MAT-POS-dd1fff26-1
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MAT-POS-dd1fff26-2
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MAT-POS-4223bc15-26
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MAT-POS-bf364d7a-7
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MAT-POS-bf364d7a-8
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EDJ-MED-76744c27-4
0.595
ALF-EVA-07677224-7
0.595
MAT-POS-5cd9ea36-17
0.594
MAT-POS-4223bc15-15
0.594
PET-UNK-615ad708-5
0.593
PET-UNK-615ad708-2
0.593
EDJ-MED-12c4873b-7
0.593
RAL-THA-952697e1-1
0.593
RAL-THA-952697e1-2
0.593
PET-UNK-ff046148-1
0.593
PET-UNK-d61f3ea6-3
0.593
JOH-SUS-07b743f6-4
0.591
ALF-EVA-07677224-4
0.591
BRU-THA-d60fe444-1
0.590
RAL-THA-ee48ba5f-4
0.590
EDJ-MED-4fff0a85-3
0.589
MAT-POS-bf364d7a-1
0.589
MAT-POS-bf364d7a-2
0.589
MAT-POS-5cd9ea36-4
0.589
MAT-POS-5cd9ea36-14
0.589
EDJ-MED-fa7708b3-1
0.589
RAL-THA-ee48ba5f-1
0.589
DAR-DIA-d8bd013f-1
0.589
DAR-DIA-d8bd013f-3
0.589
MAT-POS-4223bc15-29
0.589
BEN-DND-32596b04-2
0.587