Molecule Details
| Molecular Properties | |
| SMILES: | CC(=O)N1Cc2ccc(Cl)cc2C(C(=O)Nc2cncc3ccccc23)C1 |
| MW: | 379.11 |
| Fraction sp3: | 0.19 |
| HBA: | 3 |
| HBD: | 1 |
| Rotatable Bonds: | 2 |
| TPSA: | 62.3 |
| cLogP: | 3.97 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Activity Data | |
| IC50 (µM) - Fluorescence: | 0.383156304505084 |
| Order Status | |
| Ordered: | 2021-02-28 |
| Synthesis Location: | enamine |
| Shipped: | 2021-03-17 |
![CO[C@@]1(C(=O)Nc2cncc3ccccc23)CN(CC#N)Cc2ccc(Cl)cc21](/static/images/loading.7a8cbb7079d7.gif)
PET-UNK-9bf1291a-5
PET-UNK-9bf1291a-3
PET-UNK-9bf1291a-2
PET-UNK-9bf1291a-1
PET-UNK-9bf1291a-4
MAT-POS-4223bc15-38
MAT-POS-4223bc15-36
MAT-POS-4223bc15-34
MAT-POS-4223bc15-33
MAT-POS-4223bc15-32
MAT-POS-4223bc15-30
MAT-POS-4223bc15-27
MAT-POS-4223bc15-26
MAT-POS-4223bc15-24
MAT-POS-4223bc15-23
MAT-POS-4223bc15-22
MAT-POS-4223bc15-21
MAT-POS-4223bc15-18
MAT-POS-4223bc15-15
MAT-POS-4223bc15-13
MAT-POS-4223bc15-12
MAT-POS-4223bc15-10
MAT-POS-4223bc15-8
MAT-POS-4223bc15-7
MAT-POS-4223bc15-6
MAT-POS-4223bc15-4
MAT-POS-4223bc15-2
MAT-POS-4223bc15-41
MAT-POS-4223bc15-37
MAT-POS-4223bc15-35
MAT-POS-4223bc15-29
MAT-POS-4223bc15-28
MAT-POS-4223bc15-9
MAT-POS-4223bc15-19
MAT-POS-4223bc15-39
MAT-POS-4223bc15-17
MAT-POS-4223bc15-16
MAT-POS-4223bc15-20
MAT-POS-4223bc15-40
MAT-POS-4223bc15-31
MAT-POS-4223bc15-25
MAT-POS-4223bc15-14
MAT-POS-4223bc15-5
MAT-POS-4223bc15-3
MAT-POS-4223bc15-1
MAT-POS-4223bc15-11
PET-UNK-9b23ef84-13
PET-UNK-9b23ef84-12
PET-UNK-9b23ef84-11
PET-UNK-9b23ef84-9
PET-UNK-9b23ef84-8
PET-UNK-9b23ef84-5
PET-UNK-9b23ef84-4
PET-UNK-9b23ef84-3
PET-UNK-9b23ef84-2
PET-UNK-9b23ef84-10
PET-UNK-9b23ef84-15
PET-UNK-9b23ef84-14
PET-UNK-9b23ef84-7
PET-UNK-9b23ef84-6
PET-UNK-9b23ef84-1
PET-UNK-7f7e354d-7
PET-UNK-7f7e354d-6
PET-UNK-7f7e354d-5
PET-UNK-7f7e354d-4
PET-UNK-7f7e354d-1
PET-UNK-7f7e354d-2
PET-UNK-7f7e354d-3
MAT-POS-dd3ad2b5-2
1.000
MAT-POS-4223bc15-19
0.829
RAL-THA-6e4c80cf-1
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MAT-POS-4223bc15-18
0.810
MAT-POS-dd3ad2b5-3
0.807
MAT-POS-dd3ad2b5-5
0.800
MAT-POS-4223bc15-17
0.779
MAT-POS-4223bc15-20
0.773
RAL-THA-6e4c80cf-2
0.773
MAT-POS-4223bc15-35
0.761
MAT-POS-4223bc15-41
0.756
MAT-POS-4223bc15-33
0.744
MAT-POS-dd3ad2b5-1
0.741
BEN-DND-f2e727cd-6
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MAT-POS-4223bc15-37
0.731
MAT-POS-24589f88-2
0.724
MAT-POS-24589f88-3
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MAT-POS-dd3ad2b5-4
0.724
MAT-POS-4223bc15-40
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MAT-POS-4223bc15-36
0.720
ALF-EVA-0e90125c-2
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ALF-EVA-0e90125c-1
0.713
MAT-POS-4223bc15-38
0.713
EDJ-MED-12c4873b-3
0.711
MAT-POS-4223bc15-39
0.708
PET-UNK-9b23ef84-3
0.708
MAT-POS-61f37a1a-12
0.708
PET-UNK-162c14b2-1
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EDJ-MED-e9a22d5d-1
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MAT-POS-4223bc15-1
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MAT-POS-4223bc15-6
0.700
MAT-POS-be048f2c-1
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MIC-UNK-482af05e-2
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MAT-POS-8293a91a-5
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RAL-THA-ee48ba5f-5
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PET-UNK-d61f3ea6-2
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MAT-POS-4223bc15-2
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MAT-POS-4223bc15-23
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MAT-POS-4223bc15-27
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VLA-UNK-5b0345c3-2
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MAT-POS-4223bc15-25
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EDJ-MED-c40d95bc-2
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MAT-POS-4223bc15-21
0.689
MAT-POS-5cd9ea36-17
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MAT-POS-be048f2c-2
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MAT-POS-4223bc15-3
0.681
DAR-DIA-d8bd013f-3
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MAT-POS-5cd9ea36-14
0.681
DAR-DIA-d8bd013f-1
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MAT-POS-be048f2c-4
0.680
MIC-UNK-482af05e-1
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MAT-POS-4223bc15-22
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MAT-POS-4223bc15-24
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CLI-TLC-3a13eaf2-1
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MAT-POS-be048f2c-3
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MAT-POS-4223bc15-26
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EDJ-MED-c82a5324-1
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DAR-DIA-d8bd013f-2
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BRU-THA-98e973b9-1
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BRU-THA-d60fe444-1
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MAT-POS-4223bc15-13
0.667
RAL-THA-6e4c80cf-3
0.663
MAT-POS-5cd9ea36-4
0.663
EDJ-MED-12c4873b-1
0.663
RAL-THA-ee48ba5f-1
0.663
MAT-UNK-35705829-1
0.663
MAT-POS-4223bc15-29
0.663
EDJ-MED-fa7708b3-1
0.663
BEN-DND-32596b04-8
0.660
DAR-DIA-d8bd013f-5
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0.660
EDJ-MED-1981ceba-2
0.660
BEN-DND-32596b04-7
0.660
MAT-POS-5cd9ea36-20
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RAL-THA-ee48ba5f-2
0.656
PET-UNK-af70882d-4
0.656
EDJ-MED-7f6e5b75-1
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MAT-UNK-04ae9652-1
0.656
JOH-UNI-ededfdb6-1
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PET-UNK-af70882d-3
0.656
MAT-UNK-f490e871-1
0.656
EDJ-MED-76744c27-5
0.656
MAT-POS-5cd9ea36-3
0.656
MAT-POS-5cd9ea36-19
0.656
MAT-POS-4223bc15-5
0.653
DAR-DIA-4987d2cd-2
0.653
MAT-POS-4223bc15-7
0.653
MAT-POS-4223bc15-15
0.653
PET-UNK-d61f3ea6-3
0.649
MAT-POS-5cd9ea36-15
0.649
MAT-POS-5cd9ea36-16
0.649
MAT-POS-4223bc15-34
0.649