Molecular Properties | |
SMILES: | CNC(=O)CN1Cc2ccc(Cl)cc2C(C(=O)Nc2cncc3ccc(C(C)(C)O)cc23)C1 |
MW: | 466.18 |
Fraction sp3: | 0.32 |
HBA: | 5 |
HBD: | 3 |
Rotatable Bonds: | 5 |
TPSA: | 94.56 |
cLogP: | 3.4 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 0.563583322329467 |
Order Status | |
Ordered: | 2021-09-30 |
Synthesis Location: | enamine |
Shipped: | 2021-11-10 |
MAT-POS-2e8b2191-10
0.745
MAT-POS-8293a91a-5
0.740
MAT-POS-8293a91a-4
0.740
MAT-POS-4223bc15-23
0.740
EDJ-MED-7889e8da-3
0.697
EDJ-MED-0186a59b-2
0.697
PET-UNK-c6bcc80b-9
0.673
PET-UNK-c6bcc80b-2
0.673
EDJ-MED-0186a59b-1
0.663
EDJ-MED-7889e8da-1
0.663
ALP-POS-6f6ae286-5
0.663
BEN-DND-f06bfa8e-2
0.663
MAT-POS-b4d6b7fc-1
0.657
MAT-POS-c88128cb-1
0.654
MAT-POS-97ec4bd1-2
0.649
EDJ-MED-7889e8da-5
0.645
EDJ-MED-0186a59b-3
0.645
EDJ-MED-4f4dd660-1
0.636
EDJ-MED-c82a5324-3
0.636
MAT-POS-97ec4bd1-4
0.636
ALP-POS-1460fd94-1
0.633
JOH-UNI-ededfdb6-1
0.623
MAT-POS-5cd9ea36-13
0.623
EDJ-MED-009f762b-5
0.623
MAT-POS-c88128cb-2
0.619
MAT-POS-5c19d660-2
0.619
MAT-POS-13080fc6-6
0.618
MAT-POS-4223bc15-25
0.618
EDJ-MED-c40d95bc-2
0.618
MAT-POS-4223bc15-21
0.618
MAT-POS-5cd9ea36-15
0.617
MAT-POS-b4d6b7fc-3
0.616
NIR-WEI-dcc3321b-6
0.615
MAT-POS-97ec4bd1-1
0.614
EDJ-MED-4f4dd660-3
0.611
MAT-POS-4223bc15-22
0.610
MAT-POS-4223bc15-24
0.610
MAT-POS-666635d5-2
0.609
MAT-POS-83f73d0a-1
0.609
EDJ-MED-0186a59b-4
0.607
MIC-UNK-51049f1a-4
0.607
EDJ-MED-c82a5324-2
0.606
EDJ-MED-4f4dd660-5
0.605
MAT-POS-13080fc6-5
0.595
MIC-UNK-51049f1a-3
0.595
JOH-UNI-ededfdb6-4
0.594
MAT-POS-4223bc15-27
0.590
PET-UNK-162c14b2-2
0.570
JOH-UNI-ededfdb6-9
0.569
RAL-THA-ee48ba5f-1
0.569
EDJ-MED-fa7708b3-1
0.569
EDJ-MED-e9a22d5d-1
0.566
RAL-THA-ee48ba5f-5
0.561
MAT-POS-4223bc15-26
0.561
JOH-UNI-ededfdb6-2
0.560
MAT-POS-61f37a1a-12
0.557
PET-UNK-162c14b2-1
0.557
EDJ-MED-c40d95bc-1
0.557
NIR-WEI-dcc3321b-1
0.554
CLI-TLC-36f34aa2-1
0.554
EDJ-MED-ede277f6-7
0.553
MAT-UNK-04ae9652-1
0.550
MAT-UNK-f490e871-1
0.550
EDJ-MED-ede277f6-4
0.548
EDJ-MED-ede277f6-8
0.547
MIC-UNK-482af05e-2
0.546
EDJ-MED-12c4873b-3
0.546
MAT-POS-4223bc15-28
0.545
RAL-THA-ee48ba5f-4
0.541
MAT-UNK-35705829-1
0.541
MAT-POS-24589f88-16
0.539
EDJ-MED-009f762b-1
0.539
MAT-POS-dd3ad2b5-5
0.537
NIR-WEI-dcc3321b-4
0.537
MIC-UNK-482af05e-1
0.536
RAL-THA-ee48ba5f-2
0.536
PET-UNK-5ba9a1cb-3
0.535
PET-UNK-5ba9a1cb-2
0.535
MAT-POS-61f37a1a-13
0.534
EDJ-MED-009f762b-4
0.534
EDJ-MED-ede277f6-6
0.534
BEN-DND-f2e727cd-6
0.533
MAT-POS-dd3ad2b5-1
0.533
NIR-WEI-dcc3321b-5
0.533
JOH-UNI-ededfdb6-6
0.531
NIR-WEI-dcc3321b-3
0.528
RAL-THA-ee48ba5f-6
0.526
BEN-DND-fa51d92c-12
0.526
MAT-POS-61f37a1a-5
0.525
EDJ-MED-009f762b-3
0.525
MAT-POS-24589f88-5
0.525
EDJ-MED-009f762b-2
0.525
BEN-DND-c852c98b-3
0.523
MAT-POS-4223bc15-19
0.523
RAL-THA-6e4c80cf-1
0.523
FRA-DIA-6238d354-2
0.523
CLI-TLC-3a13eaf2-1
0.523
EDJ-MED-fb79a796-1
0.519
PET-UNK-d61f3ea6-2
0.518
PET-UNK-5ba9a1cb-1
0.517