Molecular Properties | |
SMILES: | O=C(Nc1cncc2ccccc12)C1CN(C(=O)c2ncco2)Cc2ccc(Cl)cc21 |
MW: | 432.1 |
Fraction sp3: | 0.13 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 88.33 |
cLogP: | 4.25 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 0.918197839465401 |
Order Status | |
Ordered: | 2021-03-30 |
Synthesis Location: | enamine |
Shipped: | 2021-04-28 |
MAT-POS-4223bc15-36
0.727
MAT-POS-4223bc15-40
0.713
PET-UNK-9b23ef84-2
0.713
MAT-POS-dd3ad2b5-2
0.713
RAL-THA-6e4c80cf-1
0.713
MAT-POS-dd3ad2b5-3
0.713
MAT-POS-4223bc15-19
0.713
MAT-POS-4223bc15-41
0.707
MAT-POS-be048f2c-1
0.702
MAT-POS-4223bc15-18
0.698
MAT-POS-4223bc15-35
0.694
MAT-POS-dd3ad2b5-5
0.691
MAT-POS-4223bc15-17
0.691
MAT-POS-4223bc15-37
0.686
MAT-POS-be048f2c-3
0.686
MAT-POS-4223bc15-39
0.683
MAT-POS-be048f2c-2
0.679
MAT-POS-be048f2c-4
0.673
RAL-THA-6e4c80cf-2
0.670
MAT-POS-4223bc15-20
0.670
MAT-POS-4223bc15-33
0.663
MAT-POS-24589f88-3
0.643
MAT-POS-24589f88-2
0.643
MAT-POS-dd3ad2b5-4
0.643
BEN-DND-f2e727cd-6
0.639
MAT-POS-dd3ad2b5-1
0.639
RAL-THA-6e4c80cf-4
0.639
ALF-EVA-0e90125c-1
0.638
RAL-THA-ee48ba5f-5
0.634
MAT-POS-4223bc15-21
0.630
EDJ-MED-c40d95bc-2
0.630
ALF-EVA-0e90125c-2
0.626
MAT-POS-4223bc15-3
0.624
EDJ-MED-12c4873b-5
0.623
RAL-THA-952697e1-3
0.623
MAT-POS-777f5926-2
0.623
RAL-THA-952697e1-4
0.623
VLA-UNK-5b0345c3-2
0.620
MAT-POS-4223bc15-27
0.618
MIC-UNK-482af05e-2
0.618
PET-UNK-d61f3ea6-2
0.618
MAT-POS-4223bc15-26
0.618
MAT-POS-4223bc15-7
0.615
VLA-UNK-5b0345c3-1
0.614
MAT-POS-61f37a1a-12
0.614
MAT-POS-4223bc15-25
0.614
PET-UNK-162c14b2-1
0.614
PET-UNK-9b23ef84-11
0.613
RAL-THA-6e4c80cf-3
0.613
RAL-THA-ee48ba5f-4
0.612
MAT-POS-4223bc15-13
0.612
MAT-POS-4223bc15-1
0.608
MAT-POS-4223bc15-6
0.608
EDJ-MED-e9a22d5d-1
0.608
MIC-UNK-482af05e-1
0.606
RAL-THA-ee48ba5f-2
0.604
MAT-POS-4223bc15-32
0.604
MAT-POS-4223bc15-2
0.602
MAT-POS-4223bc15-23
0.602
EDJ-MED-12c4873b-3
0.602
MAT-POS-8293a91a-5
0.602
MAT-POS-8293a91a-4
0.602
PET-UNK-5ba9a1cb-3
0.602
ALF-EVA-0e90125c-5
0.602
MAT-POS-4223bc15-30
0.602
MAT-POS-4223bc15-15
0.600
PET-UNK-9b23ef84-6
0.598
PET-UNK-d61f3ea6-3
0.598
MAT-POS-4223bc15-34
0.598
EDJ-MED-12c4873b-7
0.598
PET-UNK-9b23ef84-14
0.598
RAL-THA-952697e1-2
0.598
RAL-THA-952697e1-1
0.598
BRU-THA-98e973b9-1
0.596
BRU-THA-d60fe444-1
0.596
MAT-UNK-35705829-1
0.594
EDJ-MED-fa7708b3-1
0.594
RAL-THA-ee48ba5f-1
0.594
MAT-POS-4223bc15-22
0.590
CLI-TLC-3a13eaf2-1
0.590
EDJ-MED-1981ceba-2
0.590
BEN-DND-32596b04-7
0.590
MAT-POS-4223bc15-24
0.590
MAT-POS-5cd9ea36-3
0.589
MAT-POS-5cd9ea36-19
0.589
MAT-POS-61f37a1a-2
0.589
MAT-UNK-f490e871-1
0.589
MAT-POS-5cd9ea36-20
0.589
MAT-UNK-04ae9652-1
0.589
MAT-POS-4223bc15-9
0.589
MAT-POS-4223bc15-8
0.587
ALF-EVA-0e90125c-9
0.587
JOH-SUS-07b743f6-5
0.587
JOH-SUS-07b743f6-7
0.587
MAT-POS-4223bc15-10
0.587
DAR-DIA-4987d2cd-2
0.585
MAT-POS-5cd9ea36-2
0.585
MAT-POS-5cd9ea36-17
0.585
MAT-POS-4223bc15-5
0.585
MAT-POS-4223bc15-28
0.585