Molecule Details
| Molecular Properties | |
| SMILES: | Cn1nncc1C(=O)N1Cc2ccc(Cl)cc2C(C(=O)Nc2cncc3ccccc23)C1 |
| MW: | 446.13 |
| Fraction sp3: | 0.17 |
| HBA: | 6 |
| HBD: | 1 |
| Rotatable Bonds: | 3 |
| TPSA: | 93.01 |
| cLogP: | 3.4 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Activity Data | |
| IC50 (µM) - Fluorescence: | 0.397156472415711 |
| Order Status | |
| Ordered: | 2021-03-30 |
| Synthesis Location: | enamine |
| Shipped: | 2021-04-28 |
MAT-POS-4223bc15-41
0.798
MAT-POS-4223bc15-40
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MAT-POS-dd3ad2b5-2
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PET-UNK-9b23ef84-2
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RAL-THA-6e4c80cf-1
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MAT-POS-4223bc15-19
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MAT-POS-dd3ad2b5-5
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MAT-POS-be048f2c-4
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MAT-POS-be048f2c-1
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MAT-POS-4223bc15-18
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MAT-POS-dd3ad2b5-3
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MAT-POS-be048f2c-2
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MAT-POS-be048f2c-3
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MAT-POS-4223bc15-36
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MAT-POS-4223bc15-17
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RAL-THA-6e4c80cf-2
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MAT-POS-4223bc15-20
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MAT-POS-4223bc15-38
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MAT-POS-4223bc15-39
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MAT-POS-4223bc15-35
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BEN-DND-f2e727cd-6
0.674
MAT-POS-dd3ad2b5-1
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ALF-EVA-0e90125c-1
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MAT-POS-4223bc15-33
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VLA-UNK-5b0345c3-1
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ALF-EVA-0e90125c-2
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MAT-POS-4223bc15-21
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EDJ-MED-c40d95bc-2
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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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MAT-POS-5cd9ea36-4
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MAT-POS-4223bc15-1
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CLI-TLC-3a13eaf2-1
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MIC-UNK-482af05e-1
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MAT-POS-4223bc15-23
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MAT-POS-4223bc15-27
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RAL-THA-ee48ba5f-5
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MAT-POS-8293a91a-4
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MAT-POS-8293a91a-5
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MIC-UNK-482af05e-2
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MAT-POS-4223bc15-28
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MAT-POS-61f37a1a-12
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PET-UNK-162c14b2-1
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MAT-POS-4223bc15-25
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RAL-THA-ee48ba5f-4
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MAT-UNK-35705829-1
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RAL-THA-6e4c80cf-4
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MAT-POS-4223bc15-3
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MAT-POS-4223bc15-6
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EDJ-MED-e9a22d5d-1
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MAT-POS-4223bc15-22
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MAT-POS-4223bc15-24
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VLA-UNK-5b0345c3-2
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MAT-UNK-f490e871-1
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MAT-UNK-04ae9652-1
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MAT-POS-4223bc15-26
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EDJ-MED-12c4873b-3
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PET-UNK-d61f3ea6-2
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MAT-POS-4223bc15-2
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MAT-POS-5cd9ea36-17
0.615
RAL-THA-952697e1-2
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RAL-THA-952697e1-1
0.613
EDJ-MED-12c4873b-7
0.613
MAT-POS-4223bc15-13
0.612
XIA-UNK-50bd045a-1
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RAL-THA-ee48ba5f-1
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EDJ-MED-fa7708b3-1
0.610
MAT-POS-4223bc15-29
0.610
RAL-THA-ee48ba5f-2
0.604
JOH-UNI-ededfdb6-1
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MAT-POS-5cd9ea36-2
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MAT-POS-4223bc15-7
0.600
MAT-POS-4223bc15-15
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MAT-POS-bf364d7a-8
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MAT-POS-bf364d7a-7
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EDJ-MED-76744c27-4
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ALF-EVA-07677224-7
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RAL-THA-6e4c80cf-3
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MAT-POS-4223bc15-34
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MAT-POS-5cd9ea36-15
0.598
BRU-THA-98e973b9-1
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BRU-THA-d60fe444-1
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MAT-POS-5cd9ea36-14
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DAR-DIA-d8bd013f-1
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MAT-POS-5cd9ea36-24
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EDJ-MED-12c4873b-1
0.594
DAR-DIA-d8bd013f-3
0.594
CLI-TLC-36f34aa2-1
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EDJ-MED-1981ceba-5
0.593
BEN-DND-32596b04-2
0.593
MAT-POS-4223bc15-31
0.591
EDJ-MED-1981ceba-2
0.590
BEN-DND-32596b04-7
0.590
PET-UNK-af70882d-3
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PET-UNK-af70882d-4
0.589
EDJ-MED-7f6e5b75-1
0.589
DAR-DIA-4987d2cd-1
0.589
MAT-POS-4223bc15-9
0.589
MAT-POS-4223bc15-32
0.589