Molecular Properties | |
SMILES: | CCNS(=O)(=O)N1Cc2ccc(Cl)cc2C(C(=O)Nc2cncc3ccccc23)C1 |
MW: | 444.1 |
Fraction sp3: | 0.24 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 91.4 |
cLogP: | 3.28 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 0.148609186165864 |
Order Status | |
Ordered: | 2021-07-11 |
Synthesis Location: | enamine |
Shipped: | 2021-09-16 |
Hetero_hetero
MAT-POS-4223bc15-1
0.839
BEN-DND-32596b04-5
0.837
BEN-DND-32596b04-6
0.811
BEN-DND-32596b04-3
0.809
MAT-POS-4223bc15-6
0.798
MAT-POS-4223bc15-29
0.793
MAT-POS-5cd9ea36-4
0.793
MAT-POS-24589f88-3
0.784
MAT-POS-24589f88-2
0.784
MAT-POS-dd3ad2b5-4
0.784
MAT-POS-5cd9ea36-2
0.783
MAT-POS-5cd9ea36-3
0.766
BEN-DND-32596b04-9
0.753
PET-UNK-d61f3ea6-2
0.750
MAT-POS-4223bc15-2
0.750
BRU-THA-d60fe444-1
0.742
MAT-POS-5cd9ea36-16
0.740
MAT-POS-4223bc15-3
0.739
DAR-DIA-5e50e037-1
0.735
PET-UNK-af70882d-3
0.729
PET-UNK-af70882d-4
0.729
EDJ-MED-7f6e5b75-1
0.729
EDJ-MED-76744c27-5
0.729
MAT-POS-4223bc15-5
0.726
ALF-EVA-0e90125c-4
0.724
BRU-THA-98e973b9-1
0.723
MAT-POS-4223bc15-13
0.723
EDJ-MED-76744c27-3
0.719
MAT-POS-5cd9ea36-24
0.719
BEN-DND-32596b04-7
0.716
EDJ-MED-1981ceba-2
0.716
BEN-DND-32596b04-8
0.714
PET-UNK-de87a406-1
0.714
RAL-THA-ee48ba5f-5
0.713
MAT-POS-5cd9ea36-19
0.711
MAT-POS-5cd9ea36-20
0.711
MAT-POS-4223bc15-15
0.708
MAT-POS-4223bc15-7
0.708
MAT-POS-4223bc15-4
0.707
ANN-CHE-e1757302-2
0.707
EDJ-MED-4fff0a85-2
0.707
MAT-POS-5cd9ea36-10
0.707
MAT-POS-5cd9ea36-11
0.707
MAT-POS-dd1fff26-1
0.707
MAT-POS-dd1fff26-2
0.707
PET-UNK-615ad708-5
0.704
PET-UNK-af70882d-2
0.704
PET-UNK-615ad708-2
0.704
PET-UNK-ff046148-1
0.704
PET-UNK-d61f3ea6-3
0.704
PET-UNK-d61f3ea6-1
0.701
MAT-POS-bf364d7a-5
0.700
EDJ-MED-76744c27-1
0.700
MAT-POS-5cd9ea36-1
0.700
MAT-POS-5cd9ea36-23
0.700
MAT-POS-bf364d7a-6
0.700
PET-UNK-af70882d-1
0.700
EDJ-MED-1981ceba-3
0.697
EDJ-MED-1981ceba-5
0.697
MAT-POS-dc2604c4-4
0.697
EDJ-MED-76744c27-6
0.697
BEN-DND-32596b04-2
0.697
MAT-POS-61f37a1a-2
0.694
MAT-POS-4223bc15-9
0.694
EDJ-MED-76744c27-2
0.693
EDJ-MED-76744c27-7
0.693
MAT-POS-5cd9ea36-18
0.693
MAT-POS-4223bc15-14
0.690
ANN-CHE-e1757302-1
0.690
MAT-POS-5cd9ea36-9
0.690
MAT-POS-4223bc15-11
0.690
ALF-EVA-07677224-6
0.690
MAT-POS-dd3ad2b5-2
0.688
PET-UNK-9b23ef84-2
0.688
ALF-EVA-07677224-3
0.687
EDJ-MED-1981ceba-4
0.687
MAT-POS-bf364d7a-7
0.686
MAT-POS-bf364d7a-8
0.686
ALF-EVA-07677224-7
0.686
EDJ-MED-76744c27-4
0.686
ALF-EVA-07677224-9
0.686
BEN-DND-f2e727cd-6
0.685
MAT-POS-dd3ad2b5-1
0.685
RAL-THA-ee48ba5f-1
0.684
EDJ-MED-fa7708b3-1
0.684
XIA-UNK-50bd045a-1
0.683
MAT-POS-dc2604c4-1
0.683
ALF-EVA-07677224-1
0.683
ANN-CHE-e1757302-5
0.683
ANN-CHE-e1757302-3
0.683
MAT-POS-e194df51-1
0.683
MAT-POS-e194df51-2
0.683
JOH-SUS-07b743f6-6
0.683
PET-UNK-94036022-1
0.683
MAT-POS-bf364d7a-3
0.683
PET-UNK-94036022-8
0.683
MAT-POS-bf364d7a-4
0.683
XIA-UNK-284f966f-1
0.683
EDJ-MED-4fff0a85-4
0.683
ALF-EVA-07677224-4
0.683