Molecule Details
| Molecular Properties | |
| SMILES: | Cn1cncc1C(=O)N1Cc2ccc(Cl)cc2C(C(=O)Nc2cncc3ccccc23)C1 |
| MW: | 445.13 |
| Fraction sp3: | 0.17 |
| HBA: | 5 |
| HBD: | 1 |
| Rotatable Bonds: | 3 |
| TPSA: | 80.12 |
| cLogP: | 4.0 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Activity Data | |
| IC50 (µM) - Fluorescence: | 0.223776946563692 |
| Order Status | |
| Ordered: | 2021-03-30 |
| Synthesis Location: | enamine |
| Shipped: | 2021-04-28 |
MAT-POS-4223bc15-37
0.798
MAT-POS-4223bc15-40
0.789
RAL-THA-6e4c80cf-1
0.756
MAT-POS-4223bc15-19
0.756
MAT-POS-dd3ad2b5-2
0.756
PET-UNK-9b23ef84-2
0.756
MAT-POS-be048f2c-4
0.743
MAT-POS-be048f2c-1
0.740
MAT-POS-4223bc15-18
0.739
MAT-POS-dd3ad2b5-3
0.736
MAT-POS-be048f2c-2
0.733
MAT-POS-dd3ad2b5-5
0.731
MAT-POS-be048f2c-3
0.723
MAT-POS-4223bc15-36
0.714
MAT-POS-4223bc15-17
0.713
MAT-POS-4223bc15-20
0.708
RAL-THA-6e4c80cf-2
0.708
MAT-POS-4223bc15-38
0.707
MAT-POS-4223bc15-39
0.703
MAT-POS-4223bc15-35
0.698
BEN-DND-f2e727cd-6
0.696
MAT-POS-dd3ad2b5-1
0.696
MAT-POS-4223bc15-33
0.684
ALF-EVA-0e90125c-2
0.676
ALF-EVA-0e90125c-1
0.673
MAT-POS-dd3ad2b5-4
0.663
MAT-POS-24589f88-3
0.663
MAT-POS-24589f88-2
0.663
MAT-POS-4223bc15-6
0.660
RAL-THA-6e4c80cf-4
0.657
MAT-POS-4223bc15-27
0.653
MAT-POS-4223bc15-21
0.649
EDJ-MED-c40d95bc-2
0.649
MAT-POS-4223bc15-13
0.646
VLA-UNK-5b0345c3-1
0.645
MAT-POS-4223bc15-3
0.643
MAT-POS-4223bc15-1
0.643
MIC-UNK-482af05e-1
0.640
VLA-UNK-5b0345c3-2
0.638
MAT-POS-4223bc15-2
0.636
MAT-POS-4223bc15-23
0.636
MAT-POS-8293a91a-4
0.636
EDJ-MED-12c4873b-3
0.636
MIC-UNK-482af05e-2
0.636
MAT-POS-8293a91a-5
0.636
RAL-THA-ee48ba5f-5
0.636
PET-UNK-d61f3ea6-2
0.636
MAT-POS-4223bc15-28
0.634
PET-UNK-162c14b2-1
0.633
MAT-POS-61f37a1a-12
0.633
MAT-POS-4223bc15-25
0.633
EDJ-MED-76744c27-4
0.632
ALF-EVA-07677224-7
0.632
MAT-POS-bf364d7a-7
0.632
MAT-POS-bf364d7a-8
0.632
MAT-POS-4223bc15-34
0.631
BRU-THA-d60fe444-1
0.630
XIA-UNK-50bd045a-1
0.629
MAT-POS-4223bc15-29
0.627
MAT-POS-5cd9ea36-24
0.627
EDJ-MED-e9a22d5d-1
0.626
MAT-POS-4223bc15-22
0.624
MAT-POS-4223bc15-24
0.624
CLI-TLC-3a13eaf2-1
0.624
PET-UNK-af70882d-3
0.621
PET-UNK-af70882d-4
0.621
EDJ-MED-76744c27-5
0.621
EDJ-MED-7f6e5b75-1
0.621
MAT-POS-4223bc15-26
0.620
MAT-POS-5cd9ea36-10
0.619
MAT-POS-dd1fff26-1
0.619
MAT-POS-dd1fff26-2
0.619
MAT-POS-4223bc15-5
0.618
MAT-POS-5cd9ea36-17
0.618
MAT-POS-4223bc15-15
0.618
MAT-POS-4223bc15-7
0.618
PET-UNK-ff046148-1
0.615
MAT-POS-5cd9ea36-16
0.615
PET-UNK-615ad708-2
0.615
PET-UNK-615ad708-5
0.615
RAL-THA-6e4c80cf-3
0.615
RAL-THA-ee48ba5f-4
0.614
BRU-THA-98e973b9-1
0.614
PET-UNK-94036022-1
0.613
XIA-UNK-284f966f-1
0.613
PET-UNK-94036022-8
0.613
RAL-THA-ee48ba5f-1
0.612
DAR-DIA-d8bd013f-3
0.612
DAR-DIA-d8bd013f-1
0.612
MAT-POS-5cd9ea36-14
0.612
EDJ-MED-12c4873b-1
0.612
MAT-UNK-35705829-1
0.612
EDJ-MED-76744c27-3
0.612
EDJ-MED-fa7708b3-1
0.612
MAT-POS-5cd9ea36-4
0.612
EDJ-MED-4fff0a85-3
0.611
MAT-POS-bf364d7a-2
0.611
MAT-POS-bf364d7a-1
0.611
BEN-DND-32596b04-2
0.610
EDJ-MED-1981ceba-5
0.610