ID |
IUPAC Name |
Compound class |
Mw |
BBB |
logS (7.4) |
cLogP |
HBD |
HBA |
RO5 |
NHOH |
RotB |
TPSA |
QED |
CBD3018 |
(Z)‐N’‐{4‐[(3R,5S)‐3,5‐dimethylpiperidin‐1‐yl]butyl}‐N,N”‐dimethylguanidine |
Guanidines |
254.4 |
4.2 |
0.90 |
1.54 |
2 |
2 |
Y |
2 |
5 |
39.7 |
0.44 |
CBD3026 |
ethyl N-benzoyl-(R)-arginine |
Guanidines |
306.4 |
2.2 |
0.00 |
0.61 |
4 |
4 |
Y |
5 |
8 |
117.3 |
0.24 |
CBD3033 |
1‐methyl‐N‐{3‐[(5‐methylpyridin‐2‐yl)amino]propyl}‐6‐oxopyridine‐3‐carboxamide |
2-aminopyridylpropyl-carboxamides |
300.4 |
4.0 |
-1.70 |
1.32 |
2 |
5 |
Y |
2 |
6 |
76.0 |
0.79 |
CBD3038 |
8‐fluoro‐N‐{3‐[(5‐methylpyridin‐2‐yl)amino]propyl}quinoline‐2‐carboxamide |
2-aminopyridylpropyl-carboxamides |
338.4 |
4.2 |
-4.10 |
3.31 |
2 |
4 |
Y |
2 |
6 |
66.9 |
0.68 |
CBD3039 |
2‐ethyl‐5‐isopropyl‐N‐{3‐[(5‐methylpyridin‐2‐yl)amino]propyl}pyrazole‐3‐carboxamide |
2-aminopyridylpropyl-carboxamides |
329.4 |
4.2 |
-2.90 |
2.96 |
2 |
5 |
Y |
2 |
8 |
71.8 |
0.73 |
CBD3062 |
1‐[(3S)‐2‐oxoazepan‐3‐yl]‐3‐[3‐(pyridin‐2‐ylamino)propyl]urea |
2-aminopyridylpropylureas |
305.4 |
2.9 |
-1.90 |
0.85 |
4 |
4 |
Y |
4 |
6 |
95.2 |
0.59 |
CBD3063 |
(3R)‐3‐acetamido‐N‐[3‐(pyridin‐2‐ylamino)propyl]piperidine‐1‐carboxamide |
2-aminopyridylpropylureas |
319.4 |
3.8 |
-2.00 |
1.19 |
3 |
4 |
Y |
3 |
6 |
86.4 |
0.69 |
CBD3065 |
N’‐benzyl‐N‐[3‐(3,4‐dihydro‐1H‐isoquinolin‐2‐yl)propyl]guanidine |
Guanidines |
322.5 |
4.6 |
0.00 |
2.75 |
3 |
2 |
Y |
3 |
6 |
51.2 |
0.44 |
CBD3074 |
N‐[3‐(1,3‐dihydroisoindol‐2‐yl)propyl]‐N’‐[(2‐methoxyphenyl)methyl]guanidine |
Guanidines |
338.5 |
4.2 |
0.00 |
2.72 |
3 |
3 |
Y |
3 |
7 |
60.4 |
0.41 |