Molecular Properties | |
SMILES: | CNC(=O)C(C)N1Cc2ccc(Cl)cc2C(C(=O)Nc2cncc3ccccc23)C1 |
MW: | 422.15 |
Fraction sp3: | 0.26 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 74.33 |
cLogP: | 3.56 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 0.123614240120544 |
Order Status | |
Ordered: | 2021-07-11 |
Synthesis Location: | enamine |
Shipped: | 2021-08-18 |
DAR-DIA-d8bd013f-1
1.000
DAR-DIA-d8bd013f-3
1.000
DAR-DIA-d8bd013f-7
0.787
DAR-DIA-d8bd013f-8
0.787
DAR-DIA-d8bd013f-6
0.779
DAR-DIA-d8bd013f-5
0.779
EDJ-MED-c82a5324-1
0.768
DAR-DIA-d8bd013f-2
0.768
DAR-DIA-d8bd013f-4
0.768
DAR-DIA-d8bd013f-9
0.709
DAR-DIA-d8bd013f-10
0.709
DAR-DIA-d8bd013f-11
0.685
DAR-DIA-d8bd013f-12
0.685
PET-UNK-9b23ef84-2
0.681
MAT-POS-dd3ad2b5-2
0.681
MAT-POS-dd3ad2b5-1
0.677
BEN-DND-f2e727cd-6
0.677
MAT-POS-4223bc15-1
0.677
MAT-POS-dd3ad2b5-5
0.677
CLI-TLC-3a13eaf2-1
0.673
MAT-POS-4223bc15-23
0.670
MAT-POS-8293a91a-5
0.670
EDJ-MED-12c4873b-3
0.670
MAT-POS-8293a91a-4
0.670
DAR-DIA-d8bd013f-13
0.667
DAR-DIA-d8bd013f-14
0.667
MAT-POS-4223bc15-18
0.667
MAT-POS-dd3ad2b5-4
0.663
MAT-POS-4223bc15-19
0.663
RAL-THA-6e4c80cf-1
0.663
MAT-POS-24589f88-2
0.663
MAT-POS-24589f88-3
0.663
MAT-POS-4223bc15-6
0.660
MAT-POS-4223bc15-27
0.653
MAT-POS-dd3ad2b5-3
0.646
MAT-POS-5cd9ea36-4
0.644
MAT-POS-4223bc15-29
0.644
EDJ-MED-12c4873b-1
0.644
EDJ-MED-1981ceba-5
0.641
BEN-DND-32596b04-2
0.641
EDJ-MED-1981ceba-3
0.641
MAT-POS-4223bc15-20
0.640
MAT-POS-4223bc15-22
0.640
EDJ-MED-1981ceba-2
0.640
RAL-THA-6e4c80cf-2
0.640
BEN-DND-32596b04-7
0.640
JOH-UNI-ededfdb6-1
0.637
EDJ-MED-76744c27-5
0.637
MAT-POS-5cd9ea36-19
0.637
MAT-POS-4223bc15-2
0.636
PET-UNK-d61f3ea6-2
0.636
MAT-POS-4223bc15-26
0.636
RAL-THA-ee48ba5f-5
0.636
MIC-UNK-482af05e-2
0.636
MAT-POS-4223bc15-28
0.634
PET-UNK-162c14b2-1
0.633
MAT-POS-4223bc15-21
0.633
MAT-POS-61f37a1a-12
0.633
EDJ-MED-c40d95bc-2
0.633
MAT-POS-4223bc15-25
0.633
RAL-THA-ee48ba5f-4
0.630
BRU-THA-98e973b9-1
0.630
EDJ-MED-fa7708b3-1
0.627
PET-UNK-d61f3ea6-1
0.627
RAL-THA-ee48ba5f-1
0.627
MAT-POS-4223bc15-3
0.626
MAT-POS-4223bc15-17
0.626
EDJ-MED-e9a22d5d-1
0.626
BEN-DND-32596b04-8
0.625
CLI-TLC-36f34aa2-1
0.625
PET-UNK-de87a406-1
0.625
MIC-UNK-482af05e-1
0.624
MAT-POS-4223bc15-24
0.624
EDJ-MED-7f6e5b75-1
0.621
MAT-UNK-04ae9652-1
0.621
MAT-UNK-f490e871-1
0.621
MAT-POS-4223bc15-11
0.619
BEN-DND-32596b04-1
0.619
DAR-DIA-4987d2cd-2
0.618
MAT-POS-4223bc15-15
0.618
MAT-POS-5cd9ea36-2
0.618
MAT-POS-5cd9ea36-17
0.618
MAT-POS-5cd9ea36-15
0.615
EDJ-MED-12c4873b-7
0.615
PET-UNK-d61f3ea6-3
0.615
EDJ-MED-1981ceba-4
0.615
RAL-THA-952697e1-1
0.615
RAL-THA-952697e1-2
0.615
MAT-POS-4223bc15-13
0.614
MAT-POS-4223bc15-35
0.614
BRU-THA-d60fe444-1
0.614
MAT-POS-4223bc15-41
0.612
MAT-UNK-35705829-1
0.612
EDJ-MED-76744c27-3
0.612
RAL-THA-ee48ba5f-6
0.610
EDJ-MED-1981ceba-1
0.610
ALF-EVA-0e90125c-1
0.610
MAT-POS-5cd9ea36-20
0.606
MAT-POS-4223bc15-32
0.606
RAL-THA-ee48ba5f-2
0.606