Molecular Properties | |
SMILES: | CNC(=O)CN1Cc2ccc(Cl)cc2[C@H](C(=O)Nc2cncc3ccccc23)C1 |
MW: | 408.14 |
Fraction sp3: | 0.23 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 74.33 |
cLogP: | 3.17 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 10.5791305809319 |
Order Status | |
Shipped: | 2021-05-26 |
MAT-POS-8293a91a-5
1.000
MAT-POS-8293a91a-4
1.000
EDJ-MED-c40d95bc-2
0.835
MAT-POS-4223bc15-25
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MAT-POS-4223bc15-21
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JOH-UNI-ededfdb6-1
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MAT-POS-5cd9ea36-15
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MAT-POS-4223bc15-22
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MAT-POS-4223bc15-24
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MAT-POS-5cd9ea36-13
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EDJ-MED-0186a59b-2
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EDJ-MED-7889e8da-3
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EDJ-MED-c82a5324-3
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NIR-WEI-dcc3321b-6
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EDJ-MED-c82a5324-2
0.785
EDJ-MED-7889e8da-1
0.783
BEN-DND-f06bfa8e-2
0.783
EDJ-MED-0186a59b-1
0.783
ALP-POS-6f6ae286-5
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EDJ-MED-e9a22d5d-1
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MAT-POS-4223bc15-27
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RAL-THA-ee48ba5f-5
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PET-UNK-162c14b2-1
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MAT-POS-61f37a1a-12
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RAL-THA-ee48ba5f-1
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EDJ-MED-fa7708b3-1
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MAT-POS-97ec4bd1-3
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EDJ-MED-7889e8da-5
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EDJ-MED-0186a59b-3
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MAT-POS-4223bc15-26
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MIC-UNK-482af05e-2
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MAT-POS-b4d6b7fc-1
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MAT-UNK-f490e871-1
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MAT-UNK-04ae9652-1
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MAT-POS-4223bc15-28
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RAL-THA-ee48ba5f-4
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MAT-POS-2e8b2191-10
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ALP-POS-1460fd94-1
0.724
MAT-UNK-35705829-1
0.723
MIC-UNK-482af05e-1
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CLI-TLC-36f34aa2-1
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EDJ-MED-c40d95bc-1
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RAL-THA-ee48ba5f-2
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RAL-THA-6e4c80cf-1
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MAT-POS-4223bc15-19
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EDJ-MED-4f4dd660-1
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MAT-POS-dd3ad2b5-1
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BEN-DND-f2e727cd-6
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MAT-POS-dd3ad2b5-5
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NIR-WEI-dcc3321b-1
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MAT-POS-b4d6b7fc-3
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EDJ-MED-12c4873b-3
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NIR-WEI-dcc3321b-4
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MIC-UNK-51049f1a-4
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EDJ-MED-4f4dd660-3
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NIR-WEI-dcc3321b-5
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PET-UNK-9b23ef84-2
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MAT-POS-24589f88-2
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MAT-POS-dd3ad2b5-4
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MAT-POS-24589f88-3
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MAT-POS-dd3ad2b5-2
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EDJ-MED-4f4dd660-5
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MAT-POS-4223bc15-1
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MAT-POS-4223bc15-6
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MAT-POS-4223bc15-20
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RAL-THA-6e4c80cf-2
0.684
CLI-TLC-3a13eaf2-1
0.684
RAL-THA-ee48ba5f-6
0.684
PET-UNK-c6bcc80b-2
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PET-UNK-c6bcc80b-9
0.683
EDJ-MED-0186a59b-4
0.680
EDJ-MED-fa7708b3-3
0.680
MAT-POS-4223bc15-18
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PET-UNK-5ba9a1cb-2
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PET-UNK-5ba9a1cb-3
0.677
ALF-EVA-0e90125c-9
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MAT-POS-dd3ad2b5-3
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EDJ-MED-c82a5324-1
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DAR-DIA-d8bd013f-2
0.673
DAR-DIA-d8bd013f-4
0.673
MAT-POS-5cd9ea36-14
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MAT-POS-4223bc15-29
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DAR-DIA-d8bd013f-1
0.670
DAR-DIA-d8bd013f-3
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EDJ-MED-12c4873b-1
0.670
PET-UNK-5ba9a1cb-1
0.670
EDJ-MED-fa7708b3-2
0.670
NIR-WEI-dcc3321b-3
0.670
JOH-UNI-ededfdb6-4
0.667
NIR-WEI-dcc3321b-2
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RAL-THA-ee48ba5f-3
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MAT-POS-4223bc15-2
0.663
PET-UNK-d61f3ea6-2
0.663
MAT-POS-5cd9ea36-17
0.660
DAR-DIA-d8bd013f-8
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DAR-DIA-d8bd013f-7
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MAT-POS-4223bc15-35
0.656
BRU-THA-d60fe444-1
0.656
JOH-UNI-ededfdb6-9
0.653
MAT-POS-4223bc15-17
0.653