Molecule Details
| Molecular Properties | |
| SMILES: | COC(=O)N1Cc2ccc(Cl)cc2C(C(=O)Nc2cncc3ccccc23)C1 |
| MW: | 395.1 |
| Fraction sp3: | 0.19 |
| HBA: | 4 |
| HBD: | 1 |
| Rotatable Bonds: | 2 |
| TPSA: | 71.53 |
| cLogP: | 4.19 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Activity Data | |
| IC50 (µM) - Fluorescence: | 0.223647412881828 |
| Order Status | |
| Ordered: | 2021-03-30 |
| Synthesis Location: | enamine |
| Shipped: | 2021-04-21 |
carbamate include di-substitued N
MAT-POS-dd3ad2b5-4
RAL-THA-6e4c80cf-1
1.000
RAL-THA-6e4c80cf-2
0.857
MAT-POS-4223bc15-20
0.857
PET-UNK-9b23ef84-2
0.829
MAT-POS-dd3ad2b5-2
0.829
MAT-POS-4223bc15-18
0.810
MAT-POS-dd3ad2b5-3
0.807
MAT-POS-dd3ad2b5-5
0.800
MAT-POS-4223bc15-17
0.779
VLA-UNK-5b0345c3-2
0.763
MAT-POS-4223bc15-35
0.761
MAT-POS-4223bc15-41
0.756
RAL-THA-6e4c80cf-4
0.747
MAT-POS-4223bc15-33
0.744
MAT-POS-dd3ad2b5-1
0.741
BEN-DND-f2e727cd-6
0.741
RAL-THA-6e4c80cf-3
0.732
MAT-POS-4223bc15-37
0.731
MAT-POS-dd3ad2b5-4
0.724
MAT-POS-24589f88-3
0.724
MAT-POS-24589f88-2
0.724
MAT-POS-4223bc15-40
0.723
MAT-POS-4223bc15-36
0.720
ALF-EVA-0e90125c-2
0.716
MAT-POS-4223bc15-22
0.714
ALF-EVA-0e90125c-1
0.713
MAT-POS-4223bc15-38
0.713
MAT-POS-4223bc15-23
0.711
MAT-POS-8293a91a-4
0.711
MAT-POS-8293a91a-5
0.711
MAT-POS-4223bc15-39
0.708
MAT-POS-4223bc15-28
0.707
MAT-POS-be048f2c-2
0.704
MAT-POS-4223bc15-1
0.700
MAT-POS-4223bc15-6
0.700
EDJ-MED-e9a22d5d-1
0.700
MAT-POS-be048f2c-4
0.697
MAT-POS-be048f2c-3
0.694
MAT-POS-be048f2c-1
0.694
RAL-THA-ee48ba5f-5
0.692
MIC-UNK-482af05e-2
0.692
MAT-POS-4223bc15-27
0.692
PET-UNK-d61f3ea6-2
0.692
EDJ-MED-12c4873b-3
0.692
MAT-POS-4223bc15-2
0.692
PET-UNK-af70882d-4
0.691
JOH-UNI-ededfdb6-1
0.691
EDJ-MED-c40d95bc-2
0.689
MAT-POS-4223bc15-25
0.689
MAT-POS-4223bc15-21
0.689
PET-UNK-162c14b2-1
0.689
MAT-POS-61f37a1a-12
0.689
MAT-POS-5cd9ea36-15
0.684
MAT-POS-4223bc15-3
0.681
VLA-UNK-5b0345c3-1
0.680
MAT-POS-4223bc15-24
0.677
CLI-TLC-3a13eaf2-1
0.677
MIC-UNK-482af05e-1
0.677
EDJ-MED-1981ceba-3
0.677
MAT-POS-4223bc15-26
0.674
MAT-UNK-04ae9652-1
0.674
MAT-POS-5cd9ea36-17
0.670
MAT-POS-4223bc15-4
0.670
RAL-THA-ee48ba5f-4
0.667
MAT-POS-5cd9ea36-16
0.667
MAT-POS-4223bc15-13
0.667
BRU-THA-98e973b9-1
0.667
BRU-THA-d60fe444-1
0.667
MAT-POS-5cd9ea36-4
0.663
MAT-POS-5cd9ea36-14
0.663
DAR-DIA-d8bd013f-3
0.663
EDJ-MED-fa7708b3-1
0.663
RAL-THA-ee48ba5f-1
0.663
EDJ-MED-12c4873b-1
0.663
DAR-DIA-d8bd013f-1
0.663
MAT-UNK-35705829-1
0.663
MAT-POS-4223bc15-29
0.663
EDJ-MED-1981ceba-2
0.660
BEN-DND-32596b04-7
0.660
EDJ-MED-76744c27-2
0.657
EDJ-MED-76744c27-7
0.657
MAT-POS-5cd9ea36-13
0.656
MAT-POS-5cd9ea36-19
0.656
MAT-POS-5cd9ea36-20
0.656
EDJ-MED-76744c27-5
0.656
EDJ-MED-7f6e5b75-1
0.656
DAR-DIA-4987d2cd-1
0.656
RAL-THA-ee48ba5f-2
0.656
MAT-UNK-f490e871-1
0.656
PET-UNK-af70882d-3
0.656
ANN-CHE-e1757302-2
0.653
EDJ-MED-c82a5324-3
0.653
MAT-POS-4223bc15-30
0.653
MAT-POS-4223bc15-7
0.653
MAT-POS-4223bc15-15
0.653
MAT-POS-5cd9ea36-2
0.653
DAR-DIA-4987d2cd-2
0.653
MAT-POS-4223bc15-5
0.653
MAT-POS-bf364d7a-8
0.650
ALF-EVA-07677224-7
0.650